4-(phenylmethoxycarbonylaminomethyl)benzoic acid

C16H15NO4 — CID 1479997

IUPAC4-(phenylmethoxycarbonylaminomethyl)benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(19)14-8-6-12(7-9-14)10-17-16(20)21-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyQWHYEFZPTSTTSR-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.81
Rot. Bonds5

About 4-(phenylmethoxycarbonylaminomethyl)benzoic acid

4-(phenylmethoxycarbonylaminomethyl)benzoic acid (PubChem CID 1479997) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(phenylmethoxycarbonylaminomethyl)benzoic acid.

Molecular Properties

Compound Name4-(phenylmethoxycarbonylaminomethyl)benzoic acid
PubChem CID1479997
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-(phenylmethoxycarbonylaminomethyl)benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(19)14-8-6-12(7-9-14)10-17-16(20)21-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyQWHYEFZPTSTTSR-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(phenylmethoxycarbonylaminomethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
4-[2-(phenylmethoxycarbonylamino)acetyl]oxybenzoic acid
CID 70183021
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxycarbonylaminomethyl)benzoic acid?
The IUPAC name of 4-(phenylmethoxycarbonylaminomethyl)benzoic acid (CID 1479997) is 4-(phenylmethoxycarbonylaminomethyl)benzoic acid.
What is the SMILES notation for 4-(phenylmethoxycarbonylaminomethyl)benzoic acid?
The canonical SMILES for 4-(phenylmethoxycarbonylaminomethyl)benzoic acid is O=C(NCc1ccc(C(=O)O)cc1)OCc1ccccc1.
What is the InChIKey of 4-(phenylmethoxycarbonylaminomethyl)benzoic acid?
The InChIKey is QWHYEFZPTSTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(19)14-8-6-12(7-9-14)10-17-16(20)21-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,20)(H,18,19).
What are the key properties of 4-(phenylmethoxycarbonylaminomethyl)benzoic acid?
4-(phenylmethoxycarbonylaminomethyl)benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxycarbonylaminomethyl)benzoic acid is sourced from PubChem (CID 1479997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).