(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide

C15H20ClN3O2S — CID 119341058

IUPAC(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H20ClN3O2S/c1-22-8-6-12(17)14(20)18-13-5-7-19(15(13)21)11-4-2-3-10(16)9-11/h2-4,9,12-13H,5-8,17H2,1H3,(H,18,20)/t12-,13?/m0/s1
InChIKeyDDSDCWBTIQFUCG-UEWDXFNNSA-N
MW341.86 g/mol
LogP1.64
Rot. Bonds6

About (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide (PubChem CID 119341058) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
PubChem CID119341058
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H20ClN3O2S/c1-22-8-6-12(17)14(20)18-13-5-7-19(15(13)21)11-4-2-3-10(16)9-11/h2-4,9,12-13H,5-8,17H2,1H3,(H,18,20)/t12-,13?/m0/s1
InChIKeyDDSDCWBTIQFUCG-UEWDXFNNSA-N
XLogP1.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563803
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144
2-amino-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119332076
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119341793
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
(2R)-2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104906806
methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate
CID 125137384
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119497270
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
3-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551477
(3-chlorophenyl)methyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide (CID 119341058) is (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide?
The InChIKey is DDSDCWBTIQFUCG-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-22-8-6-12(17)14(20)18-13-5-7-19(15(13)21)11-4-2-3-10(16)9-11/h2-4,9,12-13H,5-8,17H2,1H3,(H,18,20)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide has a molecular weight of 341.86 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119341058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).