3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide

C10H18N2O2 — CID 95984971

IUPAC3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide
SMILESCC(C)(C)CC(=O)N[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)5-9(14)12-7-4-8(13)11-6-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeySJFLAZCLUJBYQM-ZETCQYMHSA-N
MW198.27 g/mol
LogP0.43
Rot. Bonds2

About 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide

3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide (PubChem CID 95984971) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide
PubChem CID95984971
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide
SMILESCC(C)(C)CC(=O)N[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)5-9(14)12-7-4-8(13)11-6-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeySJFLAZCLUJBYQM-ZETCQYMHSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide (CID 95984971) is 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide is CC(C)(C)CC(=O)N[C@@H]1CNC(=O)C1.
What is the InChIKey of 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide?
The InChIKey is SJFLAZCLUJBYQM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)5-9(14)12-7-4-8(13)11-6-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1.
What are the key properties of 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide?
3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide has a molecular weight of 198.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 95984971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).