(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide

C13H23N3O2 — CID 75411503

IUPAC(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCC1
InChIInChI=1S/C13H23N3O2/c1-3-15-11(17)10-6-4-9-16(10)13(7-5-8-13)12(18)14-2/h10H,3-9H2,1-2H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyOCEISCKKXIJWNL-JTQLQIEISA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds4

About (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide

(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide (PubChem CID 75411503) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide
PubChem CID75411503
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCC1
InChIInChI=1S/C13H23N3O2/c1-3-15-11(17)10-6-4-9-16(10)13(7-5-8-13)12(18)14-2/h10H,3-9H2,1-2H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyOCEISCKKXIJWNL-JTQLQIEISA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide (CID 75411503) is (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCC1.
What is the InChIKey of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide?
The InChIKey is OCEISCKKXIJWNL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-15-11(17)10-6-4-9-16(10)13(7-5-8-13)12(18)14-2/h10H,3-9H2,1-2H3,(H,14,18)(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide?
(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).