2- (Cyclopropylformamido) pentanedioic acid

CAT: 0926-WFC96626-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-WFC96626-01Size:0.5 g

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CAS Number

1396966-26-9

MDL Number

MFCD09359151

Smiles

C1CC1C (=O) NC (CCC (=O) O) C (=O) O

Molecular Formula

C9H13NO5

Molecular Weight

215.2 g/mol

Controlled

Chemical Information

2-(Cyclopropylformamido)pentanedioic acid

CAS Number	1396966-26-9
PubChem CID	17565333
IUPAC Name	2-(cyclopropanecarbonylamino)pentanedioic acid
Molecular Formula	C9H13NO5
Molecular Weight	215.20
XLogP	-1.4
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	284

SMILES

C1CC1C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C9H13NO5/c11-7(12)4-3-6(9(14)15)10-8(13)5-1-2-5/h5-6H,1-4H2,(H,10,13)(H,11,12)(H,14,15)

InChIKey

POVFRDAZPYIGHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1396966-26-9

CID: 17565333

Formula: C9H13NO5

MW: 215.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.20
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	215.07937252
Monoisotopic Mass	215.07937252
Topological Polar Surface Area	104 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	284
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XFC00808-01	2- (Cyclopropylformamido) propanoic acid
KWB93495-01	2- (Cyclopropylformamido) -3-hydroxybutanoic acid
BMB24254-01	4- (Cyclopropylformamido) butanoic acid
ZJB45557-01	3- (Cyclopropylformamido) propanoic acid
QCA05469-01	2- (Cyclopropylformamido) -4- (methylsulfanyl) butanoic acid
GAA46081	2- (Benzoylamino) pentanedioic acid
HBA80665-01	2- (2-Methylpropyl) pentanedioic acid
EEA11567-01	3- (2-Bromophenyl) pentanedioic acid
YPA64542-01	2- (Phosphonomethyl) -pentanedioic acid tetrasodium
ZAA86704-01	2-[ (4-Chlorophenyl) methyl]pentanedioic acid

Catalog	Name
HY-W605328-01	Pentanedioic acid
TRC-G598001-10MG	Pentanedioic-d6 Acid
sc-220669A	2- (Phosphonomethyl) -pentanedioic acid
414362-01	2- (Phosphonomethyl) pentanedioic Acid
sc-340108	2- (benzoylamino) pentanedioic acid
OR83275-01	2- (Carbamoylamino) pentanedioic acid
TRC-P353900-250MG	2-(Phosphonomethyl)pentanedioic Acid
MBS5807990	2-(Methylamino)pentanedioic acid
017343	3- (2-Methylpropyl) pentanedioic Acid
TRC-M326335-500MG	3-(2-Methylpropyl)pentanedioic Acid