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

C12H25N3O2 — CID 176601096

IUPAC5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCC(CN(CCO)C(C)C)N1
InChIInChI=1S/C12H25N3O2/c1-9(2)15(6-7-16)8-10-4-5-11(14-10)12(17)13-3/h9-11,14,16H,4-8H2,1-3H3,(H,13,17)
InChIKeyCFMVZHDGUGLQSN-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.44
Rot. Bonds6

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

5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 176601096) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID176601096
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCC(CN(CCO)C(C)C)N1
InChIInChI=1S/C12H25N3O2/c1-9(2)15(6-7-16)8-10-4-5-11(14-10)12(17)13-3/h9-11,14,16H,4-8H2,1-3H3,(H,13,17)
InChIKeyCFMVZHDGUGLQSN-UHFFFAOYSA-N
XLogP-0.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide (CID 176601096) is 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCC(CN(CCO)C(C)C)N1.
What is the InChIKey of 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CFMVZHDGUGLQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)15(6-7-16)8-10-4-5-11(14-10)12(17)13-3/h9-11,14,16H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide?
5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 176601096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).