2-(benzylamino)acetic acid;hydrochloride

C9H12ClNO2 — CID 2756624

IUPAC2-(benzylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCc1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H
InChIKeyBUZJPENZWLUHJD-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.28
Rot. Bonds4

About 2-(benzylamino)acetic acid;hydrochloride

2-(benzylamino)acetic acid;hydrochloride (PubChem CID 2756624) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-(benzylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)acetic acid;hydrochloride
PubChem CID2756624
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-(benzylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCc1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H
InChIKeyBUZJPENZWLUHJD-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(benzylamino)acetic 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

Benzylethanolamine
CID 4348
N-(Phenylmethyl)aspartic acid
CID 21714
2-(Benzylamino)acetic acid
CID 86965
N-Benzylaminodiacetic acid
CID 77606
Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
CID 174893
2-(Dibenzylamino)acetic acid
CID 174082
N-Benzyl-beta-alanine
CID 225173
Methyl 3-(N-benzylamino)propionate
CID 423871
N-Benzylglycine ethyl ester
CID 80908
(S)2-Benzylamino-3-mercapto-propionic acid
CID 11052950
2-Benzylamino-3-mercapto-propionic acid
CID 15366953
2-(Phenethylamino)acetic acid
CID 242245

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(benzylamino)acetic acid;hydrochloride (CID 2756624) is 2-(benzylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(benzylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(benzylamino)acetic acid;hydrochloride is Cl.O=C(O)CNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)acetic acid;hydrochloride?
The InChIKey is BUZJPENZWLUHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H.
What are the key properties of 2-(benzylamino)acetic acid;hydrochloride?
2-(benzylamino)acetic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)acetic acid;hydrochloride is sourced from PubChem (CID 2756624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).