4-[4-(carboxymethyl)anilino]benzoic acid

C15H13NO4 — CID 82535929

IUPAC4-[4-(carboxymethyl)anilino]benzoic acid
SMILESO=C(O)Cc1ccc(Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H13NO4/c17-14(18)9-10-1-5-12(6-2-10)16-13-7-3-11(4-8-13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyPOPVZULNDDSQNX-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.76
Rot. Bonds5

About 4-[4-(carboxymethyl)anilino]benzoic acid

4-[4-(carboxymethyl)anilino]benzoic acid (PubChem CID 82535929) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[4-(carboxymethyl)anilino]benzoic acid.

Molecular Properties

Compound Name4-[4-(carboxymethyl)anilino]benzoic acid
PubChem CID82535929
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-[4-(carboxymethyl)anilino]benzoic acid
SMILESO=C(O)Cc1ccc(Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H13NO4/c17-14(18)9-10-1-5-12(6-2-10)16-13-7-3-11(4-8-13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyPOPVZULNDDSQNX-UHFFFAOYSA-N
XLogP2.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
2-[4-(3,5-difluoroanilino)phenyl]acetic acid
CID 82535938
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
2-[4-[(2-aminopyrimidin-5-yl)amino]phenyl]acetic acid
CID 115055324
4-(4-acetamidoanilino)benzoic acid
CID 11425691
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
3-[[4-(carboxymethyl)anilino]methyl]benzoic acid
CID 82095805
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
2-[4-(1-methoxyethenyl)phenyl]acetic acid
CID 91083369
4-(3,4-dimethylanilino)benzoic acid
CID 62230347

Frequently Asked Questions

What is the IUPAC name of 4-[4-(carboxymethyl)anilino]benzoic acid?
The IUPAC name of 4-[4-(carboxymethyl)anilino]benzoic acid (CID 82535929) is 4-[4-(carboxymethyl)anilino]benzoic acid.
What is the SMILES notation for 4-[4-(carboxymethyl)anilino]benzoic acid?
The canonical SMILES for 4-[4-(carboxymethyl)anilino]benzoic acid is O=C(O)Cc1ccc(Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-(carboxymethyl)anilino]benzoic acid?
The InChIKey is POPVZULNDDSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(18)9-10-1-5-12(6-2-10)16-13-7-3-11(4-8-13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20).
What are the key properties of 4-[4-(carboxymethyl)anilino]benzoic acid?
4-[4-(carboxymethyl)anilino]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(carboxymethyl)anilino]benzoic acid is sourced from PubChem (CID 82535929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).