2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide

C8H14N2O3 — CID 11030524

IUPAC2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide
SMILESCC1(C)CN(CC(N)=O)C(=O)[C@H]1O
InChIInChI=1S/C8H14N2O3/c1-8(2)4-10(3-5(9)11)7(13)6(8)12/h6,12H,3-4H2,1-2H3,(H2,9,11)/t6-/m1/s1
InChIKeyPCLMKRASFUXFLG-ZCFIWIBFSA-N
MW186.21 g/mol
LogP-1.30
Rot. Bonds2

About 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide

2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 11030524) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide
PubChem CID11030524
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide
SMILESCC1(C)CN(CC(N)=O)C(=O)[C@H]1O
InChIInChI=1S/C8H14N2O3/c1-8(2)4-10(3-5(9)11)7(13)6(8)12/h6,12H,3-4H2,1-2H3,(H2,9,11)/t6-/m1/s1
InChIKeyPCLMKRASFUXFLG-ZCFIWIBFSA-N
XLogP-1.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide (CID 11030524) is 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide is CC1(C)CN(CC(N)=O)C(=O)[C@H]1O.
What is the InChIKey of 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is PCLMKRASFUXFLG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2)4-10(3-5(9)11)7(13)6(8)12/h6,12H,3-4H2,1-2H3,(H2,9,11)/t6-/m1/s1.
What are the key properties of 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide?
2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 186.21 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 11030524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).