(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid

C11H12Cl2N2O3S — CID 61141294

IUPAC(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSCC(=O)Nc1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O3S/c12-6-2-1-3-7(13)10(6)15-9(16)5-19-4-8(14)11(17)18/h1-3,8H,4-5,14H2,(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyGNWRBWAQVIZGGS-QMMMGPOBSA-N
MW323.20 g/mol
LogP2.08
Rot. Bonds6

About (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 61141294) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid
PubChem CID61141294
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSCC(=O)Nc1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O3S/c12-6-2-1-3-7(13)10(6)15-9(16)5-19-4-8(14)11(17)18/h1-3,8H,4-5,14H2,(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyGNWRBWAQVIZGGS-QMMMGPOBSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 60919401
(2R)-2-amino-3-[2-[(2-chlorobenzoyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61145815
(2S)-2-amino-3-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773488
2-amino-3-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385247
methyl 3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785569
2-amino-3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385271
2-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105353139
(2S)-2-amino-3-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 93031211
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
(2S)-2-amino-3-[3-(2-chloroanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773489
3-[3-(2,6-dichloroanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 43241674
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid (CID 61141294) is (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid is N[C@@H](CSCC(=O)Nc1c(Cl)cccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is GNWRBWAQVIZGGS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c12-6-2-1-3-7(13)10(6)15-9(16)5-19-4-8(14)11(17)18/h1-3,8H,4-5,14H2,(H,15,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 323.20 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 61141294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).