2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid

C16H17NO3 — CID 14093660

IUPAC2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
SMILESO=C(O)CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-14(19)11-17-15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13/h1-10,15-17,20H,11H2,(H,18,19)/t15-,16-/m0/s1
InChIKeyGZQBQURPFATDQM-HOTGVXAUSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds6

About 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid

2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid (PubChem CID 14093660) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
PubChem CID14093660
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
SMILESO=C(O)CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-14(19)11-17-15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13/h1-10,15-17,20H,11H2,(H,18,19)/t15-,16-/m0/s1
InChIKeyGZQBQURPFATDQM-HOTGVXAUSA-N
XLogP2.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid 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

sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 173391415
3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
CID 14391185
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2-(2-methylsulfanylethylamino)-1,2-diphenylethanol
CID 19806393
4-hydroxy-3-(2-hydroxyethylamino)-4-phenylbutanoic acid
CID 82347220
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348
N'-acetyl-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetohydrazide
CID 9132759

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
The IUPAC name of 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid (CID 14093660) is 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
The canonical SMILES for 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid is O=C(O)CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
The InChIKey is GZQBQURPFATDQM-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H17NO3/c18-14(19)11-17-15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13/h1-10,15-17,20H,11H2,(H,18,19)/t15-,16-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid is sourced from PubChem (CID 14093660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).