[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate

C8H13NO3 — CID 146167866

IUPAC[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-5(12-6(2)10)7-3-4-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11)/t5-,7-/m0/s1
InChIKeyCPBMKGZBBZKBDU-FSPLSTOPSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds2

About [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate

[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate (PubChem CID 146167866) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate
PubChem CID146167866
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-5(12-6(2)10)7-3-4-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11)/t5-,7-/m0/s1
InChIKeyCPBMKGZBBZKBDU-FSPLSTOPSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]but-3-enyl] acetate
CID 135039810
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
methyl 3-oxo-2-(5-oxopyrrolidin-2-yl)butanoate
CID 11830410
O-[1-(6-oxopiperidin-2-yl)ethyl] methylsulfanylmethanethioate
CID 87954735
2-(5-oxopyrrolidin-2-yl)propanedioic acid
CID 130664567
5-(1-bromo-3-oxobutyl)pyrrolidin-2-one
CID 141039551
1-cyclopentylethyl acetate
CID 12705472
(5R)-5-butan-2-ylpyrrolidin-2-one
CID 167119866
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
[(1S)-1-[(3R)-5-oxooxolan-3-yl]ethyl] acetate
CID 131860875
[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 162899358
2-(5-oxopyrrolidin-2-yl)butanamide
CID 90190478

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate?
The IUPAC name of [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate (CID 146167866) is [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate.
What is the SMILES notation for [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate?
The canonical SMILES for [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate is CC(=O)O[C@@H](C)[C@@H]1CCC(=O)N1.
What is the InChIKey of [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate?
The InChIKey is CPBMKGZBBZKBDU-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(12-6(2)10)7-3-4-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11)/t5-,7-/m0/s1.
What are the key properties of [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate?
[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate has a molecular weight of 171.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate is sourced from PubChem (CID 146167866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).