2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride

C9H11Cl2NO2 — CID 11333810

IUPAC2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H
InChIKeyPFOCEDBJFKVRHU-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride

2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride (PubChem CID 11333810) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride
PubChem CID11333810
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H
InChIKeyPFOCEDBJFKVRHU-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
Baclofen
CID 2284
D-Phenylalanine
CID 71567
Arbaclofen
CID 44602
Fenclonine
CID 4652
Dl-Phenylalanine
CID 994
p-Fluorophenylalanine
CID 4654
3-Amino-3-(4-chlorophenyl)propanoic acid
CID 344176
(S)-Baclofen
CID 44600
4-Chloro-L-phenylalanine
CID 736190
Endorphenyl
CID 6925665
(S)-2-amino-4-phenylbutanoic acid
CID 2724505

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride (CID 11333810) is 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride is Cl.NC(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride?
The InChIKey is PFOCEDBJFKVRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H.
What are the key properties of 2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride?
2-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride has a molecular weight of 236.10 g/mol, XLogP of 1.72, 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)propanoic acid;hydrochloride is sourced from PubChem (CID 11333810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).