(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide

C9H17N3O2S — CID 106187684

IUPAC(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
SMILESCSCC[C@H](N)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2S/c1-15-3-2-7(10)9(14)12-6-4-8(13)11-5-6/h6-7H,2-5,10H2,1H3,(H,11,13)(H,12,14)/t6?,7-/m0/s1
InChIKeyWNYFNMOLPZWGRL-MLWJPKLSSA-N
MW231.32 g/mol
LogP-0.93
Rot. Bonds5

About (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide

(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide (PubChem CID 106187684) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
PubChem CID106187684
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
SMILESCSCC[C@H](N)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2S/c1-15-3-2-7(10)9(14)12-6-4-8(13)11-5-6/h6-7H,2-5,10H2,1H3,(H,11,13)(H,12,14)/t6?,7-/m0/s1
InChIKeyWNYFNMOLPZWGRL-MLWJPKLSSA-N
XLogP-0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
(2R)-2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187627
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
2-amino-N-(6-oxopiperidin-3-yl)pentanamide
CID 63661228
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
CID 104907039
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
5-amino-N-(5-oxopyrrolidin-3-yl)hexanamide
CID 106187716
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide (CID 106187684) is (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide is CSCC[C@H](N)C(=O)NC1CNC(=O)C1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide?
The InChIKey is WNYFNMOLPZWGRL-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-15-3-2-7(10)9(14)12-6-4-8(13)11-5-6/h6-7H,2-5,10H2,1H3,(H,11,13)(H,12,14)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide?
(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide has a molecular weight of 231.32 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide is sourced from PubChem (CID 106187684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).