propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate

C10H18N2O3 — CID 116654854

IUPACpropan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CCCN1C(=O)OC(C)C
InChIInChI=1S/C10H18N2O3/c1-7(2)15-10(14)12-6-4-5-8(12)9(13)11-3/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyFPVVCYKHBXCLDZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.74
Rot. Bonds2

About propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate

propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 116654854) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID116654854
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namepropan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CCCN1C(=O)OC(C)C
InChIInChI=1S/C10H18N2O3/c1-7(2)15-10(14)12-6-4-5-8(12)9(13)11-3/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyFPVVCYKHBXCLDZ-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate (CID 116654854) is propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate is CNC(=O)C1CCCN1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is FPVVCYKHBXCLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)15-10(14)12-6-4-5-8(12)9(13)11-3/h7-8H,4-6H2,1-3H3,(H,11,13).
What are the key properties of propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 116654854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).