methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate

C14H23N3O5 — CID 67612069

IUPACmethyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
SMILESCNC(=O)C1CCCN1C(=O)C(NC(=O)OC)C1CCOC1
InChIInChI=1S/C14H23N3O5/c1-15-12(18)10-4-3-6-17(10)13(19)11(16-14(20)21-2)9-5-7-22-8-9/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyFVOWTHGWUFZJPW-UHFFFAOYSA-N
MW313.35 g/mol
LogP-0.52
Rot. Bonds4

About methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate

methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate (PubChem CID 67612069) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
PubChem CID67612069
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Namemethyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
SMILESCNC(=O)C1CCCN1C(=O)C(NC(=O)OC)C1CCOC1
InChIInChI=1S/C14H23N3O5/c1-15-12(18)10-4-3-6-17(10)13(19)11(16-14(20)21-2)9-5-7-22-8-9/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyFVOWTHGWUFZJPW-UHFFFAOYSA-N
XLogP-0.52
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate (CID 67612069) is methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate is CNC(=O)C1CCCN1C(=O)C(NC(=O)OC)C1CCOC1.
What is the InChIKey of methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The InChIKey is FVOWTHGWUFZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-15-12(18)10-4-3-6-17(10)13(19)11(16-14(20)21-2)9-5-7-22-8-9/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate has a molecular weight of 313.35 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate is sourced from PubChem (CID 67612069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).