(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid

C12H12Cl2N2O5 — CID 107821455

IUPAC(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
SMILESCOc1c(Cl)cc(C(=O)N[C@H](CC(N)=O)C(=O)O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O5/c1-21-10-6(13)2-5(3-7(10)14)11(18)16-8(12(19)20)4-9(15)17/h2-3,8H,4H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t8-/m1/s1
InChIKeyBFGGWZAUMYKZTA-MRVPVSSYSA-N
MW335.14 g/mol
LogP1.06
Rot. Bonds6

About (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid (PubChem CID 107821455) has the molecular formula C12H12Cl2N2O5 and a molecular weight of 335.14 g/mol. Its IUPAC name is (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
PubChem CID107821455
Molecular FormulaC12H12Cl2N2O5
Molecular Weight335.14 g/mol
Exact Mass334.01
IUPAC Name(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
SMILESCOc1c(Cl)cc(C(=O)N[C@H](CC(N)=O)C(=O)O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O5/c1-21-10-6(13)2-5(3-7(10)14)11(18)16-8(12(19)20)4-9(15)17/h2-3,8H,4H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t8-/m1/s1
InChIKeyBFGGWZAUMYKZTA-MRVPVSSYSA-N
XLogP1.06
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225
(2S)-4-amino-2-[(4-amino-3-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 103870110
(2R)-4-amino-2-[(3-chloro-4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 114004761
(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79011316
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
(2R)-4-amino-2-[(3,5-dibromobenzoyl)amino]-4-oxobutanoic acid
CID 114022564
(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821307
4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 43357181
(2S)-4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 63715560
(2R)-4-amino-2-[(4-chloro-3-fluorobenzoyl)amino]-4-oxobutanoic acid
CID 107998151

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid (CID 107821455) is (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid is COc1c(Cl)cc(C(=O)N[C@H](CC(N)=O)C(=O)O)cc1Cl.
What is the InChIKey of (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid?
The InChIKey is BFGGWZAUMYKZTA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O5/c1-21-10-6(13)2-5(3-7(10)14)11(18)16-8(12(19)20)4-9(15)17/h2-3,8H,4H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid has a molecular weight of 335.14 g/mol, XLogP of 1.06, 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-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).