4-amino-3-(4-chlorophenyl)butanoic acid

C10H12ClNO2 — CID 2284

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IUPAC4-amino-3-(4-chlorophenyl)butanoic acid
SMILESNCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKeyKPYSYYIEGFHWSV-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.86
Rot. Bonds4

About 4-amino-3-(4-chlorophenyl)butanoic acid

4-amino-3-(4-chlorophenyl)butanoic acid (PubChem CID 2284) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)butanoic acid
PubChem CID2284
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-amino-3-(4-chlorophenyl)butanoic acid
SMILESNCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKeyKPYSYYIEGFHWSV-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fenclonine
CID 4652
Arbaclofen
CID 44602
Phenibut
CID 14113
3-Amino-3-(4-chlorophenyl)propanoic acid
CID 344176
(S)-Baclofen
CID 44600
(2R)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 667429
4-Chloro-L-phenylalanine
CID 736190
Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821
Phenylalanine, 4-chloro-, methyl ester
CID 26532
3-chloro-L-phenylalanine
CID 2761492
2-Chloro-L-phenylalanine
CID 2761491
4-Amino-3-(2-chloro-phenyl)-butyric acid
CID 21950279

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)butanoic acid?
The IUPAC name of 4-amino-3-(4-chlorophenyl)butanoic acid (CID 2284) is 4-amino-3-(4-chlorophenyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)butanoic acid?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)butanoic acid is NCC(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)butanoic acid?
The InChIKey is KPYSYYIEGFHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14).
What are the key properties of 4-amino-3-(4-chlorophenyl)butanoic acid?
4-amino-3-(4-chlorophenyl)butanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)butanoic acid is sourced from PubChem (CID 2284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).