2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid

C11H13ClN2O3 — CID 55104752

IUPAC2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
SMILESCC(CN)C(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-6(5-13)10(15)14-9-3-2-7(12)4-8(9)11(16)17/h2-4,6H,5,13H2,1H3,(H,14,15)(H,16,17)
InChIKeySFUNZEVHZINDFD-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.57
Rot. Bonds4

About 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid

2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid (PubChem CID 55104752) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
PubChem CID55104752
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
SMILESCC(CN)C(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-6(5-13)10(15)14-9-3-2-7(12)4-8(9)11(16)17/h2-4,6H,5,13H2,1H3,(H,14,15)(H,16,17)
InChIKeySFUNZEVHZINDFD-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoic acid
CID 61158389
5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid
CID 141008013
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 61187936
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-chlorobenzoic acid
CID 61202417
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
5-chloro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]benzoic acid
CID 61203622
5-chloro-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
CID 61470803
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid?
The IUPAC name of 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid (CID 55104752) is 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid is CC(CN)C(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid?
The InChIKey is SFUNZEVHZINDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-6(5-13)10(15)14-9-3-2-7(12)4-8(9)11(16)17/h2-4,6H,5,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid?
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid is sourced from PubChem (CID 55104752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).