2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid

C17H19NO3 — CID 82344765

IUPAC2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
SMILESCOc1ccc(C(NC(C)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-12(13-6-4-3-5-7-13)18-16(17(19)20)14-8-10-15(21-2)11-9-14/h3-12,16,18H,1-2H3,(H,19,20)
InChIKeyHZLSCLKTYSIBAV-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid

2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid (PubChem CID 82344765) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
PubChem CID82344765
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
SMILESCOc1ccc(C(NC(C)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-12(13-6-4-3-5-7-13)18-16(17(19)20)14-8-10-15(21-2)11-9-14/h3-12,16,18H,1-2H3,(H,19,20)
InChIKeyHZLSCLKTYSIBAV-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
(2R,4S)-4-hydroxy-4-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 101046831
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
methyl (2S)-2-[(S)-(4-methoxyphenyl)-[[(1R)-1-phenylethyl]amino]methyl]-3-methylbutanoate
CID 102251917
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid (CID 82344765) is 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid is COc1ccc(C(NC(C)c2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid?
The InChIKey is HZLSCLKTYSIBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(13-6-4-3-5-7-13)18-16(17(19)20)14-8-10-15(21-2)11-9-14/h3-12,16,18H,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid?
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid is sourced from PubChem (CID 82344765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).