trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate

C9H13NO3 — CID 130709687

IUPACtrans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1C[C@H]1C(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C9H13NO3/c1-5-4-6(5)9(12)13-7-2-3-10-8(7)11/h5-7H,2-4H2,1H3,(H,10,11)/t5-,6-,7+/m1/s1
InChIKeyDLDVYGBYQVGCBP-QYNIQEEDSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds2

About trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate

trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 130709687) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
PubChem CID130709687
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nametrans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
SMILESC[C@@H]1C[C@H]1C(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C9H13NO3/c1-5-4-6(5)9(12)13-7-2-3-10-8(7)11/h5-7H,2-4H2,1H3,(H,10,11)/t5-,6-,7+/m1/s1
InChIKeyDLDVYGBYQVGCBP-QYNIQEEDSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
CID 156835139
(2-oxoazepan-3-yl) carbamate
CID 175088958
cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 124835796
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
[(3S)-2-oxopiperidin-3-yl] N-tert-butylcarbamate
CID 54290526
3-cyclopentyloxypyrrolidin-2-one
CID 164903698
trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 130734937
methane;(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 161339427
(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate
CID 145013118
thiolan-3-yl 2-methylcyclopropane-1-carboxylate
CID 130708259
3-(2-acetylphenoxy)pyrrolidin-2-one
CID 117051792
3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea
CID 159990566

Frequently Asked Questions

What is the IUPAC name of trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate (CID 130709687) is trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate is C[C@@H]1C[C@H]1C(=O)O[C@H]1CCNC1=O.
What is the InChIKey of trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate?
The InChIKey is DLDVYGBYQVGCBP-QYNIQEEDSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5-4-6(5)9(12)13-7-2-3-10-8(7)11/h5-7H,2-4H2,1H3,(H,10,11)/t5-,6-,7+/m1/s1.
What are the key properties of trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate?
trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-[(3S)-2-oxopyrrolidin-3-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 130709687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).