(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid

C11H10Cl2N2O4 — CID 29282640

IUPAC(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C11H10Cl2N2O4/c12-5-1-2-7(13)6(3-5)10(17)15-8(11(18)19)4-9(14)16/h1-3,8H,4H2,(H2,14,16)(H,15,17)(H,18,19)/t8-/m0/s1
InChIKeyPSWJLIAQQPOJBS-QMMMGPOBSA-N
MW305.12 g/mol
LogP1.05
Rot. Bonds5

About (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid (PubChem CID 29282640) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
PubChem CID29282640
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C11H10Cl2N2O4/c12-5-1-2-7(13)6(3-5)10(17)15-8(11(18)19)4-9(14)16/h1-3,8H,4H2,(H2,14,16)(H,15,17)(H,18,19)/t8-/m0/s1
InChIKeyPSWJLIAQQPOJBS-QMMMGPOBSA-N
XLogP1.05
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
4-amino-2-[(5-chloro-2-nitrobenzoyl)amino]-4-oxobutanoic acid
CID 43216991
(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821307
4-amino-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-oxobutanoic acid
CID 43240153
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
(2S)-4-amino-2-[(2-chloro-5-nitrobenzoyl)amino]-4-oxobutanoic acid
CID 61141772
(2R)-4-amino-2-[(4-chloro-3-fluorobenzoyl)amino]-4-oxobutanoic acid
CID 107998151
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
(2S)-4-amino-2-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-4-oxobutanoic acid
CID 78950377
(2S)-4-amino-2-[(4-amino-3-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 103870110

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid (CID 29282640) is (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid is NC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid?
The InChIKey is PSWJLIAQQPOJBS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c12-5-1-2-7(13)6(3-5)10(17)15-8(11(18)19)4-9(14)16/h1-3,8H,4H2,(H2,14,16)(H,15,17)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid has a molecular weight of 305.12 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 29282640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).