2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate

C12H22N2O3 — CID 3127502

IUPAC2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCCNC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C12H22N2O3/c1-4-13-11(15)10-6-5-7-14(10)12(16)17-8-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyGLDKXUWVLXMNKF-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds4

About 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate

2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 3127502) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID3127502
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCCNC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C12H22N2O3/c1-4-13-11(15)10-6-5-7-14(10)12(16)17-8-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyGLDKXUWVLXMNKF-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate (CID 3127502) is 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate is CCNC(=O)C1CCCN1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is GLDKXUWVLXMNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-13-11(15)10-6-5-7-14(10)12(16)17-8-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate?
2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(ethylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 3127502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).