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

C10H12ClNO2 — CID 12743550

IUPAC2-amino-3-(4-chlorophenyl)butanoic acid
SMILESCC(c1ccc(Cl)cc1)C(N)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(9(12)10(13)14)7-2-4-8(11)5-3-7/h2-6,9H,12H2,1H3,(H,13,14)
InChIKeyHPDVYZIJIBPYHI-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-3-(4-chlorophenyl)butanoic acid

2-amino-3-(4-chlorophenyl)butanoic acid (PubChem CID 12743550) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)butanoic acid
PubChem CID12743550
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-3-(4-chlorophenyl)butanoic acid
SMILESCC(c1ccc(Cl)cc1)C(N)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(9(12)10(13)14)7-2-4-8(11)5-3-7/h2-6,9H,12H2,1H3,(H,13,14)
InChIKeyHPDVYZIJIBPYHI-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 70537702
(2S,3R)-2-amino-3-(4-nitrophenyl)butanoic acid
CID 14598190
N-[4-(1-amino-1-carboxypropan-2-yl)phenyl]methanimine oxide
CID 89211405
2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid
CID 53402028
3-[1-(4-chlorophenyl)ethyl]pentane-2,4-dione
CID 11557749
2-amino-3-(5-chlorothiophen-3-yl)butanoic acid
CID 164662267
(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
CID 10827030
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)butanoic acid?
The IUPAC name of 2-amino-3-(4-chlorophenyl)butanoic acid (CID 12743550) is 2-amino-3-(4-chlorophenyl)butanoic acid.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)butanoic acid?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)butanoic acid is CC(c1ccc(Cl)cc1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)butanoic acid?
The InChIKey is HPDVYZIJIBPYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6(9(12)10(13)14)7-2-4-8(11)5-3-7/h2-6,9H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(4-chlorophenyl)butanoic acid?
2-amino-3-(4-chlorophenyl)butanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)butanoic acid is sourced from PubChem (CID 12743550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).