5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide

C14H27N3O — CID 176601593

IUPAC5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCC(CN(C(C)C)C2CCC2)N1
InChIInChI=1S/C14H27N3O/c1-10(2)17(12-5-4-6-12)9-11-7-8-13(16-11)14(18)15-3/h10-13,16H,4-9H2,1-3H3,(H,15,18)
InChIKeyPTENLVOAKOIIGC-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.12
Rot. Bonds5

About 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide

5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 176601593) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID176601593
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCC(CN(C(C)C)C2CCC2)N1
InChIInChI=1S/C14H27N3O/c1-10(2)17(12-5-4-6-12)9-11-7-8-13(16-11)14(18)15-3/h10-13,16H,4-9H2,1-3H3,(H,15,18)
InChIKeyPTENLVOAKOIIGC-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide (CID 176601593) is 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCC(CN(C(C)C)C2CCC2)N1.
What is the InChIKey of 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PTENLVOAKOIIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)17(12-5-4-6-12)9-11-7-8-13(16-11)14(18)15-3/h10-13,16H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 176601593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).