2-anilinopropanoic acid;hydrochloride

C9H12ClNO2 — CID 19096756

IUPAC2-anilinopropanoic acid;hydrochloride
SMILESCC(Nc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-7(9(11)12)10-8-5-3-2-4-6-8;/h2-7,10H,1H3,(H,11,12);1H
InChIKeyPVSXFZNUFZMVAC-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.99
Rot. Bonds3

About 2-anilinopropanoic acid;hydrochloride

2-anilinopropanoic acid;hydrochloride (PubChem CID 19096756) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-anilinopropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-anilinopropanoic acid;hydrochloride
PubChem CID19096756
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-anilinopropanoic acid;hydrochloride
SMILESCC(Nc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-7(9(11)12)10-8-5-3-2-4-6-8;/h2-7,10H,1H3,(H,11,12);1H
InChIKeyPVSXFZNUFZMVAC-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-anilinopropanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-anilinopropanoic acid;oxolane
CID 158034208
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
2-(4-benzoylanilino)propanoic acid
CID 23202897
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
methyl 2-anilinopropanoate
CID 3417283
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
2-anilino-1-phenylpropan-1-one
CID 577481
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356

Frequently Asked Questions

What is the IUPAC name of 2-anilinopropanoic acid;hydrochloride?
The IUPAC name of 2-anilinopropanoic acid;hydrochloride (CID 19096756) is 2-anilinopropanoic acid;hydrochloride.
What is the SMILES notation for 2-anilinopropanoic acid;hydrochloride?
The canonical SMILES for 2-anilinopropanoic acid;hydrochloride is CC(Nc1ccccc1)C(=O)O.Cl.
What is the InChIKey of 2-anilinopropanoic acid;hydrochloride?
The InChIKey is PVSXFZNUFZMVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-7(9(11)12)10-8-5-3-2-4-6-8;/h2-7,10H,1H3,(H,11,12);1H.
What are the key properties of 2-anilinopropanoic acid;hydrochloride?
2-anilinopropanoic acid;hydrochloride has a molecular weight of 201.65 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 2-anilinopropanoic acid;hydrochloride is sourced from PubChem (CID 19096756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).