(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid

C11H11ClN2O4 — CID 7062801

IUPAC(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H11ClN2O4/c12-7-3-1-6(2-4-7)10(16)14-8(11(17)18)5-9(13)15/h1-4,8H,5H2,(H2,13,15)(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyKGNNVUXXSWNUIE-MRVPVSSYSA-N
MW270.67 g/mol
LogP0.40
Rot. Bonds5

About (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid (PubChem CID 7062801) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
PubChem CID7062801
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H11ClN2O4/c12-7-3-1-6(2-4-7)10(16)14-8(11(17)18)5-9(13)15/h1-4,8H,5H2,(H2,13,15)(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyKGNNVUXXSWNUIE-MRVPVSSYSA-N
XLogP0.40
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
4-amino-2-[(4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 43084996
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
(2R)-4-amino-2-[(4-chloro-3-fluorobenzoyl)amino]-4-oxobutanoic acid
CID 107998151
4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43240154
(2S)-4-amino-2-[(4-amino-3-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 103870110
(2S)-4-amino-2-[(4-fluoro-3-methylbenzoyl)amino]-4-oxobutanoic acid
CID 55230934
(2R)-4-amino-2-[(3-chloro-4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 114004761
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821307
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859
(2S)-4-amino-4-oxo-2-(1H-pyrrole-3-carbonylamino)butanoic acid
CID 110834824

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid (CID 7062801) is (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid?
The InChIKey is KGNNVUXXSWNUIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-7-3-1-6(2-4-7)10(16)14-8(11(17)18)5-9(13)15/h1-4,8H,5H2,(H2,13,15)(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid has a molecular weight of 270.67 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 7062801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).