2-anilino-3-phenylmethoxypropanoic acid

C16H17NO3 — CID 154530203

IUPAC2-anilino-3-phenylmethoxypropanoic acid
SMILESO=C(O)C(COCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H17NO3/c18-16(19)15(17-14-9-5-2-6-10-14)12-20-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,18,19)
InChIKeyCIGDVNCOEOEZDR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.77
Rot. Bonds7

About 2-anilino-3-phenylmethoxypropanoic acid

2-anilino-3-phenylmethoxypropanoic acid (PubChem CID 154530203) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-anilino-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name2-anilino-3-phenylmethoxypropanoic acid
PubChem CID154530203
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-anilino-3-phenylmethoxypropanoic acid
SMILESO=C(O)C(COCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H17NO3/c18-16(19)15(17-14-9-5-2-6-10-14)12-20-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,18,19)
InChIKeyCIGDVNCOEOEZDR-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
(2S)-2-anilino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 69079493
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
sodium 2-[2-(2-aminoethylamino)ethylamino]-3-phenylmethoxypropanoic acid
CID 22118026
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421898
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
2-[2-(2-aminoethylamino)ethylamino]-3-phenylmethoxypropanoic acid;ethane
CID 143425739
2-anilino-3-sulfanylpropanoic acid
CID 87519071
2-methyl-N-[1-(methylamino)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 171594170

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-phenylmethoxypropanoic acid?
The IUPAC name of 2-anilino-3-phenylmethoxypropanoic acid (CID 154530203) is 2-anilino-3-phenylmethoxypropanoic acid.
What is the SMILES notation for 2-anilino-3-phenylmethoxypropanoic acid?
The canonical SMILES for 2-anilino-3-phenylmethoxypropanoic acid is O=C(O)C(COCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-anilino-3-phenylmethoxypropanoic acid?
The InChIKey is CIGDVNCOEOEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(19)15(17-14-9-5-2-6-10-14)12-20-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,18,19).
What are the key properties of 2-anilino-3-phenylmethoxypropanoic acid?
2-anilino-3-phenylmethoxypropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 154530203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).