4-[(3-amino-2-methylpropanoyl)amino]benzoic acid

C11H14N2O3 — CID 62669470

IUPAC4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
SMILESCC(CN)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-7(6-12)10(14)13-9-4-2-8(3-5-9)11(15)16/h2-5,7H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyFSXNFPFRHBKYNL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.92
Rot. Bonds4

About 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid

4-[(3-amino-2-methylpropanoyl)amino]benzoic acid (PubChem CID 62669470) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
PubChem CID62669470
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
SMILESCC(CN)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-7(6-12)10(14)13-9-4-2-8(3-5-9)11(15)16/h2-5,7H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyFSXNFPFRHBKYNL-UHFFFAOYSA-N
XLogP0.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-methyl-3-sulfanylpropanoyl]amino]benzoic acid
CID 88611511
4-[(3-chloro-2-methylpropanoyl)amino]benzoic acid
CID 62727614
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
4-(1-aminopropan-2-ylamino)benzoic acid
CID 103387752
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
4-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]benzoic acid
CID 7019942
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid?
The IUPAC name of 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid (CID 62669470) is 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid is CC(CN)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid?
The InChIKey is FSXNFPFRHBKYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(6-12)10(14)13-9-4-2-8(3-5-9)11(15)16/h2-5,7H,6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid?
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylpropanoyl)amino]benzoic acid is sourced from PubChem (CID 62669470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).