2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid

C9H15NO3 — CID 97000523

IUPAC2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
SMILESCC(C)[C@@H]1CC(=O)N(CC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-6(2)7-3-8(11)10(4-7)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyRWGDAAOFFJUOGG-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.58
Rot. Bonds3

About 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid

2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid (PubChem CID 97000523) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
PubChem CID97000523
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
SMILESCC(C)[C@@H]1CC(=O)N(CC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-6(2)7-3-8(11)10(4-7)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyRWGDAAOFFJUOGG-SSDOTTSWSA-N
XLogP0.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511158
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512179
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512195
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one
CID 103072989
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168504859
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
(E)-3-[2-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 104512561

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid (CID 97000523) is 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid is CC(C)[C@@H]1CC(=O)N(CC(=O)O)C1.
What is the InChIKey of 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid?
The InChIKey is RWGDAAOFFJUOGG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)7-3-8(11)10(4-7)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid?
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 97000523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).