3-Cyclobutylalanine

CAT: 0127-OR451069-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR451069-01Size:1 g

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CAS Number

4426-06-6

MDL Number

MFCD09264349

Purity

95%

Smiles

NC(CC1CCC1)C(=O)O

Chemical Information

2-Amino-3-cyclobutylpropanoic acid

CAS Number	4426-06-6
PubChem CID	21988066
IUPAC Name	2-amino-3-cyclobutylpropanoic acid
Molecular Formula	C7H13NO2
Molecular Weight	143.18
XLogP	-1.4
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	132

SMILES

C1CC(C1)CC(C(=O)O)N

InChI

InChI=1S/C7H13NO2/c8-6(7(9)10)4-5-2-1-3-5/h5-6H,1-4,8H2,(H,9,10)

InChIKey

SRGOJUDAJKUDAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4426-06-6

CID: 21988066

Formula: C7H13NO2

MW: 143.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.18
XLogP3	-1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	143.094628657
Monoisotopic Mass	143.094628657
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	132
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
OR451129	L-Cyclobutylalanine
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1060769-01	3,3',3''-Phosphanetriyltriphenol

Catalog	Name
sc-268829	D-3-Cyclobutylalanine
CSB-DT2414	Boc- (S) -3-cyclobutylalanine
QXA45675-01	Boc-3-Cyclobutylalanine
MBS9022906-01	Boc-(S)-3-cyclobutylalanine
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
QPA42834	3,3,3-Trifluoropropanethioamide
426796-01	3,3,3-Trifluoroalanine
sc-261128A	3,3,3-Trifluoropropionaldehyde
NU-456L	3',3',3'-cAAG