3-methoxy-2-(4-phenylanilino)propanoic acid

C16H17NO3 — CID 103230384

IUPAC3-methoxy-2-(4-phenylanilino)propanoic acid
SMILESCOCC(Nc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-20-11-15(16(18)19)17-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyFUWJBHBKKIQRGQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.87
Rot. Bonds6

About 3-methoxy-2-(4-phenylanilino)propanoic acid

3-methoxy-2-(4-phenylanilino)propanoic acid (PubChem CID 103230384) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methoxy-2-(4-phenylanilino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(4-phenylanilino)propanoic acid
PubChem CID103230384
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-methoxy-2-(4-phenylanilino)propanoic acid
SMILESCOCC(Nc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-20-11-15(16(18)19)17-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyFUWJBHBKKIQRGQ-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
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3-methoxy-2-(4-sulfamoylanilino)propanoic acid
CID 81079040
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
3-methoxy-2-(3-phenoxyanilino)propanoic acid
CID 103243354
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
3-methoxy-2-(thiophen-3-ylamino)propanoic acid
CID 103255779
(2S)-2-anilino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 69079493
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-(4-bromo-3-methoxyanilino)-3-methoxypropanoic acid
CID 103261943
2-(3-chloro-4-methoxyanilino)-3-methoxypropanoic acid
CID 112519196
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-phenylanilino)propanoic acid?
The IUPAC name of 3-methoxy-2-(4-phenylanilino)propanoic acid (CID 103230384) is 3-methoxy-2-(4-phenylanilino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(4-phenylanilino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(4-phenylanilino)propanoic acid is COCC(Nc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(4-phenylanilino)propanoic acid?
The InChIKey is FUWJBHBKKIQRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-11-15(16(18)19)17-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,18,19).
What are the key properties of 3-methoxy-2-(4-phenylanilino)propanoic acid?
3-methoxy-2-(4-phenylanilino)propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-phenylanilino)propanoic acid is sourced from PubChem (CID 103230384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).