[(3S)-2-oxopyrrolidin-3-yl] propanoate

C7H11NO3 — CID 130723940

IUPAC[(3S)-2-oxopyrrolidin-3-yl] propanoate
SMILESCCC(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)11-5-3-4-8-7(5)10/h5H,2-4H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyIHRKIUAPCDJJQT-YFKPBYRVSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

About [(3S)-2-oxopyrrolidin-3-yl] propanoate

[(3S)-2-oxopyrrolidin-3-yl] propanoate (PubChem CID 130723940) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(3S)-2-oxopyrrolidin-3-yl] propanoate.

Molecular Properties

Compound Name[(3S)-2-oxopyrrolidin-3-yl] propanoate
PubChem CID130723940
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(3S)-2-oxopyrrolidin-3-yl] propanoate
SMILESCCC(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)11-5-3-4-8-7(5)10/h5H,2-4H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyIHRKIUAPCDJJQT-YFKPBYRVSA-N
XLogP-0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxy-3,4-dihydro-2H-pyrrol-3-yl acetate
CID 12365590
2-Oxopyrrolidin-3-yl acetate
CID 20452404
1-Methyl-2-oxopyrrolidin-3-yl acetate
CID 45090947
Ethyl pyrrolidone acetate
CID 122691995
3-Methoxypyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 172819763
[(3S)-5-oxopyrrolidin-3-yl] acetate
CID 126551320
3,4-Dimethoxypyrrolin-2-one
CID 22926297
1-(3-Aminopropyl)-2-pyrrolidone acetate
CID 132280456
4-Carboxymethoxypyrrolidone
CID 134821209
(3R,4S)-3,4-dimethoxypyrrolidin-2-one
CID 134850659
(5-Oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate
CID 130694673
1-(Butylamino)-1-oxopropan-2-yl acetate
CID 229290

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] propanoate?
The IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] propanoate (CID 130723940) is [(3S)-2-oxopyrrolidin-3-yl] propanoate.
What is the SMILES notation for [(3S)-2-oxopyrrolidin-3-yl] propanoate?
The canonical SMILES for [(3S)-2-oxopyrrolidin-3-yl] propanoate is CCC(=O)O[C@H]1CCNC1=O.
What is the InChIKey of [(3S)-2-oxopyrrolidin-3-yl] propanoate?
The InChIKey is IHRKIUAPCDJJQT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6(9)11-5-3-4-8-7(5)10/h5H,2-4H2,1H3,(H,8,10)/t5-/m0/s1.
What are the key properties of [(3S)-2-oxopyrrolidin-3-yl] propanoate?
[(3S)-2-oxopyrrolidin-3-yl] propanoate has a molecular weight of 157.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopyrrolidin-3-yl] propanoate is sourced from PubChem (CID 130723940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).