(2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid

C10H10Cl2N2O3 — CID 70492579

IUPAC(2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H10Cl2N2O3/c11-6-2-1-5(3-7(6)12)14-8(10(16)17)4-9(13)15/h1-3,8,14H,4H2,(H2,13,15)(H,16,17)/t8-/m1/s1
InChIKeyPWFDUHITVKILKR-MRVPVSSYSA-N
MW277.11 g/mol
LogP1.73
Rot. Bonds5

About (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid

(2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid (PubChem CID 70492579) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid
PubChem CID70492579
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name(2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H10Cl2N2O3/c11-6-2-1-5(3-7(6)12)14-8(10(16)17)4-9(13)15/h1-3,8,14H,4H2,(H2,13,15)(H,16,17)/t8-/m1/s1
InChIKeyPWFDUHITVKILKR-MRVPVSSYSA-N
XLogP1.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,4-dichloroanilino)pentanoate
CID 83037604
(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
(2S)-4-amino-2-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
CID 127256276
(2S)-4-amino-2-[(4-amino-3-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 103870110
(2S)-4-amino-2-[(3,5-dichlorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716230
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
(2R)-4-amino-2-[(3-chloro-4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 114004761
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
4-(3,4-dichloroanilino)-3-(3-fluoroanilino)-4-oxobutanoic acid
CID 18775024
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid (CID 70492579) is (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid is NC(=O)C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid?
The InChIKey is PWFDUHITVKILKR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-6-2-1-5(3-7(6)12)14-8(10(16)17)4-9(13)15/h1-3,8,14H,4H2,(H2,13,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid?
(2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid has a molecular weight of 277.11 g/mol, XLogP of 1.73, 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-(3,4-dichloroanilino)-4-oxobutanoic acid is sourced from PubChem (CID 70492579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).