3-(3-phenylmethoxypropanoylamino)benzoic acid

C17H17NO4 — CID 150361696

IUPAC3-(3-phenylmethoxypropanoylamino)benzoic acid
SMILESO=C(CCOCc1ccccc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C17H17NO4/c19-16(9-10-22-12-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyGVVPLWKTJMZSHX-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.93
Rot. Bonds7

About 3-(3-phenylmethoxypropanoylamino)benzoic acid

3-(3-phenylmethoxypropanoylamino)benzoic acid (PubChem CID 150361696) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3-phenylmethoxypropanoylamino)benzoic acid.

Molecular Properties

Compound Name3-(3-phenylmethoxypropanoylamino)benzoic acid
PubChem CID150361696
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-(3-phenylmethoxypropanoylamino)benzoic acid
SMILESO=C(CCOCc1ccccc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C17H17NO4/c19-16(9-10-22-12-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyGVVPLWKTJMZSHX-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 43238383
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
CID 51089316
3-(3-benzylsulfanylpropanoylamino)benzoic acid
CID 21233262
3-(4-carboxybutanoylamino)benzoic acid
CID 735327
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
2-methyl-4-(4-phenylmethoxybutanoylamino)benzoic acid
CID 119240384
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxypropanoylamino)benzoic acid?
The IUPAC name of 3-(3-phenylmethoxypropanoylamino)benzoic acid (CID 150361696) is 3-(3-phenylmethoxypropanoylamino)benzoic acid.
What is the SMILES notation for 3-(3-phenylmethoxypropanoylamino)benzoic acid?
The canonical SMILES for 3-(3-phenylmethoxypropanoylamino)benzoic acid is O=C(CCOCc1ccccc1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(3-phenylmethoxypropanoylamino)benzoic acid?
The InChIKey is GVVPLWKTJMZSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(9-10-22-12-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21).
What are the key properties of 3-(3-phenylmethoxypropanoylamino)benzoic acid?
3-(3-phenylmethoxypropanoylamino)benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxypropanoylamino)benzoic acid is sourced from PubChem (CID 150361696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).