4-(carboxymethylcarbamoyl)benzoic acid

C10H9NO5 — CID 166957862

IUPAC4-(carboxymethylcarbamoyl)benzoic acid
SMILESO=C(O)CNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H9NO5/c12-8(13)5-11-9(14)6-1-3-7(4-2-6)10(15)16/h1-4H,5H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyVMCRIHSTYJASMY-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.20
Rot. Bonds4

About 4-(carboxymethylcarbamoyl)benzoic acid

4-(carboxymethylcarbamoyl)benzoic acid (PubChem CID 166957862) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 4-(carboxymethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4-(carboxymethylcarbamoyl)benzoic acid
PubChem CID166957862
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name4-(carboxymethylcarbamoyl)benzoic acid
SMILESO=C(O)CNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H9NO5/c12-8(13)5-11-9(14)6-1-3-7(4-2-6)10(15)16/h1-4H,5H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyVMCRIHSTYJASMY-UHFFFAOYSA-N
XLogP0.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamidoacetic acid;hydrofluoride
CID 174760685
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 43414345
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
2-[[4-[[4-(carboxymethylcarbamoyl)phenyl]-(sulfanylmethyl)phosphanyl]benzoyl]amino]acetic acid
CID 59202677
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
CID 66812377
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethylcarbamoyl)benzoic acid?
The IUPAC name of 4-(carboxymethylcarbamoyl)benzoic acid (CID 166957862) is 4-(carboxymethylcarbamoyl)benzoic acid.
What is the SMILES notation for 4-(carboxymethylcarbamoyl)benzoic acid?
The canonical SMILES for 4-(carboxymethylcarbamoyl)benzoic acid is O=C(O)CNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(carboxymethylcarbamoyl)benzoic acid?
The InChIKey is VMCRIHSTYJASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c12-8(13)5-11-9(14)6-1-3-7(4-2-6)10(15)16/h1-4H,5H2,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 4-(carboxymethylcarbamoyl)benzoic acid?
4-(carboxymethylcarbamoyl)benzoic acid has a molecular weight of 223.18 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethylcarbamoyl)benzoic acid is sourced from PubChem (CID 166957862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).