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

C16H17NO3 — CID 14093654

IUPAC2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)C(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)
InChIKeyGZQBQURPFATDQM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds6

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

2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid (PubChem CID 14093654) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid
PubChem CID14093654
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid
SMILESO=C(O)CNC(c1ccccc1)C(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)
InChIKeyGZQBQURPFATDQM-UHFFFAOYSA-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

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Related Compounds

(1S,2R)-(+)-2-Amino-1,2-diphenylethanol
CID 719822
Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-(Benzylamino)-1-phenylethanol
CID 229746
2-Amino-1,2-diphenylethanol
CID 22243
Phenyl(piperidin-2-yl)methanol
CID 225581
(1R,2S)-(-)-2-Amino-1,2-diphenylethanol
CID 719819
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
N-methyl-1,2-diphenylethanolamine
CID 99708

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid (CID 14093654) is 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid is O=C(O)CNC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid?
The InChIKey is GZQBQURPFATDQM-UHFFFAOYSA-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).
What are the key properties of 2-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid?
2-[(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-[(2-hydroxy-1,2-diphenylethyl)amino]acetic acid is sourced from PubChem (CID 14093654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).