3-amino-3-(3-chlorophenyl)butanoic acid

C10H12ClNO2 — CID 64664943

IUPAC3-amino-3-(3-chlorophenyl)butanoic acid
SMILESCC(N)(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-10(12,6-9(13)14)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyOAJXZVSTXMKDKF-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.99
Rot. Bonds3

About 3-amino-3-(3-chlorophenyl)butanoic acid

3-amino-3-(3-chlorophenyl)butanoic acid (PubChem CID 64664943) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-amino-3-(3-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-chlorophenyl)butanoic acid
PubChem CID64664943
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-amino-3-(3-chlorophenyl)butanoic acid
SMILESCC(N)(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-10(12,6-9(13)14)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyOAJXZVSTXMKDKF-UHFFFAOYSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
3-amino-3-(3-bromophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 129071634
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
CID 138401045
3-(3-chlorophenyl)-3-cyano-4-methylpentanoic acid
CID 117059933
2-(3-chlorophenyl)-5-phenylpentan-2-amine
CID 55095968
3-amino-3-(2-amino-4-pyridinyl)butanoic acid
CID 55268845
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 165352758
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
3-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
CID 82297847

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chlorophenyl)butanoic acid?
The IUPAC name of 3-amino-3-(3-chlorophenyl)butanoic acid (CID 64664943) is 3-amino-3-(3-chlorophenyl)butanoic acid.
What is the SMILES notation for 3-amino-3-(3-chlorophenyl)butanoic acid?
The canonical SMILES for 3-amino-3-(3-chlorophenyl)butanoic acid is CC(N)(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-3-(3-chlorophenyl)butanoic acid?
The InChIKey is OAJXZVSTXMKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-10(12,6-9(13)14)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-(3-chlorophenyl)butanoic acid?
3-amino-3-(3-chlorophenyl)butanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chlorophenyl)butanoic acid is sourced from PubChem (CID 64664943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).