(2S)-2-amino-3-(4-chlorophenyl)propanoic acid

C9H10ClNO2 — CID 736190

IUPAC(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyNIGWMJHCCYYCSF-QMMMGPOBSA-N
MW199.64 g/mol
LogP1.29
Rot. Bonds3

About (2S)-2-amino-3-(4-chlorophenyl)propanoic acid

(2S)-2-amino-3-(4-chlorophenyl)propanoic acid (PubChem CID 736190) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
PubChem CID736190
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyNIGWMJHCCYYCSF-QMMMGPOBSA-N
XLogP1.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-chlorophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-chlorophenyl)propanoic acid (CID 736190) is (2S)-2-amino-3-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-chlorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-chlorophenyl)propanoic acid is N[C@@H](Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-chlorophenyl)propanoic acid?
The InChIKey is NIGWMJHCCYYCSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-chlorophenyl)propanoic acid?
(2S)-2-amino-3-(4-chlorophenyl)propanoic acid has a molecular weight of 199.64 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 736190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).