(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide

C10H18N2O2S — CID 11436159

IUPAC(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1C[C@H](CSC)CC1=O
InChIInChI=1S/C10H18N2O2S/c1-3-8(10(11)14)12-5-7(6-15-2)4-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7-,8+/m1/s1
InChIKeyROVQPIFUAQOYIS-SFYZADRCSA-N
MW230.33 g/mol
LogP0.46
Rot. Bonds5

About (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide

(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 11436159) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID11436159
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1C[C@H](CSC)CC1=O
InChIInChI=1S/C10H18N2O2S/c1-3-8(10(11)14)12-5-7(6-15-2)4-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7-,8+/m1/s1
InChIKeyROVQPIFUAQOYIS-SFYZADRCSA-N
XLogP0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide (CID 11436159) is (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide is CC[C@@H](C(N)=O)N1C[C@H](CSC)CC1=O.
What is the InChIKey of (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is ROVQPIFUAQOYIS-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-8(10(11)14)12-5-7(6-15-2)4-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 230.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 11436159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).