methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

C9H16N2O3 — CID 71684097

IUPACmethyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c1-7(10-9(13)14-2)8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyWBTBLDDZTTZCGG-ZETCQYMHSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds2

About methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (PubChem CID 71684097) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
PubChem CID71684097
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c1-7(10-9(13)14-2)8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyWBTBLDDZTTZCGG-ZETCQYMHSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (CID 71684097) is methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is COC(=O)N[C@@H](C)C(=O)N1CCCC1.
What is the InChIKey of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The InChIKey is WBTBLDDZTTZCGG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(10-9(13)14-2)8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 71684097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).