Cis-ACPD

CAT: 0926-CUA33106-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CUA33106-04Size:50 mg

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CAS Number

477331-06-9

Smiles

C1CC (CC1C (=O) O) (C (=O) O) N

Molecular Formula

C7H11NO4

Molecular Weight

173.17 g/mol

Controlled

Chemical Information

(A+-)-1-Amino-cis-cyclopentane-1,3-dicarboxylic acid

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CAS Number	477331-06-9
PubChem CID	231345
IUPAC Name	cis-(1R,3R)-1-aminocyclopentane-1,3-dicarboxylic acid
Molecular Formula	C7H11NO4
Molecular Weight	173.17
XLogP	-3.2
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	227

SMILES

C1C[C@@](C[C@@H]1C(=O)O)(C(=O)O)N

InChI

InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m1/s1

InChIKey

YFYNOWXBIBKGHB-CLZZGJSISA-N

Chemical Structure

2D Structure

CAS: 477331-06-9

CID: 231345

Formula: C7H11NO4

MW: 173.17

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	173.17
XLogP3	-3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	173.06880783
Monoisotopic Mass	173.06880783
Topological Polar Surface Area	101 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes