4-[(2-methoxycarbonylanilino)methyl]benzoic acid

C16H15NO4 — CID 65348011

IUPAC4-[(2-methoxycarbonylanilino)methyl]benzoic acid
SMILESCOC(=O)c1ccccc1NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-21-16(20)13-4-2-3-5-14(13)17-10-11-6-8-12(9-7-11)15(18)19/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyZAGHCEHCKZINKV-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.78
Rot. Bonds5

About 4-[(2-methoxycarbonylanilino)methyl]benzoic acid

4-[(2-methoxycarbonylanilino)methyl]benzoic acid (PubChem CID 65348011) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(2-methoxycarbonylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxycarbonylanilino)methyl]benzoic acid
PubChem CID65348011
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[(2-methoxycarbonylanilino)methyl]benzoic acid
SMILESCOC(=O)c1ccccc1NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-21-16(20)13-4-2-3-5-14(13)17-10-11-6-8-12(9-7-11)15(18)19/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyZAGHCEHCKZINKV-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
4-[(2-carbamimidoylanilino)methyl]benzoic acid
CID 82253624
4-[2-[(2-methoxycarbonylphenyl)carbamoylamino]ethyl]benzoic acid
CID 170554504
methyl 2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoate
CID 43139457
4-[(2-iodoanilino)methyl]benzoic acid
CID 62217620
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
methyl 3-(benzylamino)-4-hydroxybenzoate
CID 83317646
methyl 2-amino-3-[(4-ethylphenyl)methylamino]benzoate
CID 106900672
methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
CID 134537275
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919
N-benzyl-2,3-dimethylaniline;terephthalic acid
CID 175448533

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycarbonylanilino)methyl]benzoic acid?
The IUPAC name of 4-[(2-methoxycarbonylanilino)methyl]benzoic acid (CID 65348011) is 4-[(2-methoxycarbonylanilino)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-methoxycarbonylanilino)methyl]benzoic acid?
The canonical SMILES for 4-[(2-methoxycarbonylanilino)methyl]benzoic acid is COC(=O)c1ccccc1NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxycarbonylanilino)methyl]benzoic acid?
The InChIKey is ZAGHCEHCKZINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-16(20)13-4-2-3-5-14(13)17-10-11-6-8-12(9-7-11)15(18)19/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of 4-[(2-methoxycarbonylanilino)methyl]benzoic acid?
4-[(2-methoxycarbonylanilino)methyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycarbonylanilino)methyl]benzoic acid is sourced from PubChem (CID 65348011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).