(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid

C12H13ClN2O5 — CID 107821307

IUPAC(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
SMILESCOc1cc(Cl)ccc1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H13ClN2O5/c1-20-9-4-6(13)2-3-7(9)11(17)15-8(12(18)19)5-10(14)16/h2-4,8H,5H2,1H3,(H2,14,16)(H,15,17)(H,18,19)/t8-/m1/s1
InChIKeyGDHRIHDFAYTXMM-MRVPVSSYSA-N
MW300.70 g/mol
LogP0.41
Rot. Bonds6

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

(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid (PubChem CID 107821307) has the molecular formula C12H13ClN2O5 and a molecular weight of 300.70 g/mol. Its IUPAC name is (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
PubChem CID107821307
Molecular FormulaC12H13ClN2O5
Molecular Weight300.70 g/mol
Exact Mass300.05
IUPAC Name(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
SMILESCOc1cc(Cl)ccc1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H13ClN2O5/c1-20-9-4-6(13)2-3-7(9)11(17)15-8(12(18)19)5-10(14)16/h2-4,8H,5H2,1H3,(H2,14,16)(H,15,17)(H,18,19)/t8-/m1/s1
InChIKeyGDHRIHDFAYTXMM-MRVPVSSYSA-N
XLogP0.41
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-amino-2-[(4-bromo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 115368589
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
(2S)-4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 63715560
4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 43357181
(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 29054204
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
4-amino-2-[(5-chloro-2-nitrobenzoyl)amino]-4-oxobutanoic acid
CID 43216991
(2R)-4-amino-2-[(2-fluoro-4-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821559
(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821455

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid (CID 107821307) is (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid is COc1cc(Cl)ccc1C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid?
The InChIKey is GDHRIHDFAYTXMM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13ClN2O5/c1-20-9-4-6(13)2-3-7(9)11(17)15-8(12(18)19)5-10(14)16/h2-4,8H,5H2,1H3,(H2,14,16)(H,15,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid has a molecular weight of 300.70 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).