4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid

C16H15NO4 — CID 1365740

IUPAC4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-11(21-14-5-3-2-4-6-14)15(18)17-13-9-7-12(8-10-13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyNVZXZKYUIWMRJL-NSHDSACASA-N
MW285.30 g/mol
LogP2.79
Rot. Bonds5

About 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid

4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid (PubChem CID 1365740) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
PubChem CID1365740
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-11(21-14-5-3-2-4-6-14)15(18)17-13-9-7-12(8-10-13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyNVZXZKYUIWMRJL-NSHDSACASA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
(2R)-2-phenoxy-N-[4-[4-[[(2R)-2-phenoxypropanoyl]amino]phenyl]sulfinylphenyl]propanamide
CID 1352725

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid?
The IUPAC name of 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid (CID 1365740) is 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid?
The canonical SMILES for 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid is C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid?
The InChIKey is NVZXZKYUIWMRJL-NSHDSACASA-N. The full InChI is InChI=1S/C16H15NO4/c1-11(21-14-5-3-2-4-6-14)15(18)17-13-9-7-12(8-10-13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid?
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid is sourced from PubChem (CID 1365740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).