methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate

C7H11NO3 — CID 10877378

IUPACmethyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c1-11-7(10)4-5-2-3-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyCFABROWAKYVCGK-YFKPBYRVSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

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

methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate (PubChem CID 10877378) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
PubChem CID10877378
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c1-11-7(10)4-5-2-3-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyCFABROWAKYVCGK-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

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methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
CID 11665473
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
methyl 2-[(1S)-3-oxocyclohexyl]acetate
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methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529310
tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
CID 11148606
2-(2-methoxyethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79282461
methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
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(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate (CID 10877378) is methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1CCC(=O)N1.
What is the InChIKey of methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate?
The InChIKey is CFABROWAKYVCGK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-7(10)4-5-2-3-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate?
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate 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 methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate is sourced from PubChem (CID 10877378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).