N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide

C10H18N2O2 — CID 69352923

IUPACN-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCC(=O)NN1CC[C@H](CC(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-7(2)6-9-4-5-12(10(9)14)11-8(3)13/h7,9H,4-6H2,1-3H3,(H,11,13)/t9-/m1/s1
InChIKeyCDQQWQNOWQMXRI-SECBINFHSA-N
MW198.27 g/mol
LogP0.93
Rot. Bonds3

About N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide

N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 69352923) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide
PubChem CID69352923
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCC(=O)NN1CC[C@H](CC(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-7(2)6-9-4-5-12(10(9)14)11-8(3)13/h7,9H,4-6H2,1-3H3,(H,11,13)/t9-/m1/s1
InChIKeyCDQQWQNOWQMXRI-SECBINFHSA-N
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide (CID 69352923) is N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide is CC(=O)NN1CC[C@H](CC(C)C)C1=O.
What is the InChIKey of N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is CDQQWQNOWQMXRI-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)6-9-4-5-12(10(9)14)11-8(3)13/h7,9H,4-6H2,1-3H3,(H,11,13)/t9-/m1/s1.
What are the key properties of N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide?
N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 69352923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).