3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid

C16H15NO4 — CID 974931

IUPAC3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-11(21-14-8-3-2-4-9-14)15(18)17-13-7-5-6-12(10-13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyZVFIBFRTHAJKOA-LLVKDONJSA-N
MW285.30 g/mol
LogP2.79
Rot. Bonds5

About 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid

3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid (PubChem CID 974931) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
PubChem CID974931
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-11(21-14-8-3-2-4-9-14)15(18)17-13-7-5-6-12(10-13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyZVFIBFRTHAJKOA-LLVKDONJSA-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

3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
CID 17204568
3-[2-(2-bromophenoxy)propanoylamino]benzoic acid
CID 17341904
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate
CID 1353243

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid?
The IUPAC name of 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid (CID 974931) is 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid?
The canonical SMILES for 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid is C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid?
The InChIKey is ZVFIBFRTHAJKOA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11(21-14-8-3-2-4-9-14)15(18)17-13-7-5-6-12(10-13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid?
3-[[(2R)-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 3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid is sourced from PubChem (CID 974931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).