2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid

C16H16ClNO2 — CID 103257236

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
SMILESC[C@H](NC(C(=O)O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-11(12-7-9-14(17)10-8-12)18-15(16(19)20)13-5-3-2-4-6-13/h2-11,15,18H,1H3,(H,19,20)/t11-,15?/m0/s1
InChIKeyHXAOTUPLKFRWKQ-VPHXOMNUSA-N
MW289.76 g/mol
LogP3.82
Rot. Bonds5

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid (PubChem CID 103257236) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
PubChem CID103257236
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
SMILESC[C@H](NC(C(=O)O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-11(12-7-9-14(17)10-8-12)18-15(16(19)20)13-5-3-2-4-6-13/h2-11,15,18H,1H3,(H,19,20)/t11-,15?/m0/s1
InChIKeyHXAOTUPLKFRWKQ-VPHXOMNUSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid
CID 83058705
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8636388
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
CID 82775621
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693281
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid (CID 103257236) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid is C[C@H](NC(C(=O)O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid?
The InChIKey is HXAOTUPLKFRWKQ-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(12-7-9-14(17)10-8-12)18-15(16(19)20)13-5-3-2-4-6-13/h2-11,15,18H,1H3,(H,19,20)/t11-,15?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid has a molecular weight of 289.76 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 103257236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).