methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate

C8H14N2O3 — CID 115606581

IUPACmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CCCN1C(=O)OC
InChIInChI=1S/C8H14N2O3/c1-9-7(11)6-4-3-5-10(6)8(12)13-2/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyPJLLRIOYJARYLK-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.04
Rot. Bonds1

About methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate

methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 115606581) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID115606581
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CCCN1C(=O)OC
InChIInChI=1S/C8H14N2O3/c1-9-7(11)6-4-3-5-10(6)8(12)13-2/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyPJLLRIOYJARYLK-UHFFFAOYSA-N
XLogP-0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate (CID 115606581) is methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate is CNC(=O)C1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is PJLLRIOYJARYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-7(11)6-4-3-5-10(6)8(12)13-2/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115606581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).