methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate

C9H15NO3 — CID 124604356

IUPACmethyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N1C(C)C
InChIInChI=1S/C9H15NO3/c1-6(2)10-7(9(12)13-3)4-5-8(10)11/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyHBRMNPXGFMAHRX-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds2

About methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate

methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 124604356) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID124604356
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N1C(C)C
InChIInChI=1S/C9H15NO3/c1-6(2)10-7(9(12)13-3)4-5-8(10)11/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyHBRMNPXGFMAHRX-SSDOTTSWSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 91397358
methyl 1-(chloromethyl)-5-oxopyrrolidine-2-carboxylate
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methyl (2S)-1-(2-bromopropanoyl)-5-oxopyrrolidine-2-carboxylate
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5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 15991840
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
CID 167396219
CID 59074453
CID 59074453
(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 178109240
5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 3243254
methyl (2S)-1-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxylate
CID 135042132
methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
CID 10944700

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate (CID 124604356) is methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate is COC(=O)[C@H]1CCC(=O)N1C(C)C.
What is the InChIKey of methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is HBRMNPXGFMAHRX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)10-7(9(12)13-3)4-5-8(10)11/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 124604356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).