(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide

C12H22N2O2 — CID 158485166

IUPAC(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCC[C@]1(C(N)=O)CCCN1C(=O)C(C)C
InChIInChI=1S/C12H22N2O2/c1-4-6-12(11(13)16)7-5-8-14(12)10(15)9(2)3/h9H,4-8H2,1-3H3,(H2,13,16)/t12-/m1/s1
InChIKeyHHZVVSQHCIEEAK-GFCCVEGCSA-N
MW226.32 g/mol
LogP1.29
Rot. Bonds4

About (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide

(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 158485166) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID158485166
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCC[C@]1(C(N)=O)CCCN1C(=O)C(C)C
InChIInChI=1S/C12H22N2O2/c1-4-6-12(11(13)16)7-5-8-14(12)10(15)9(2)3/h9H,4-8H2,1-3H3,(H2,13,16)/t12-/m1/s1
InChIKeyHHZVVSQHCIEEAK-GFCCVEGCSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide (CID 158485166) is (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide is CCC[C@]1(C(N)=O)CCCN1C(=O)C(C)C.
What is the InChIKey of (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is HHZVVSQHCIEEAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-12(11(13)16)7-5-8-14(12)10(15)9(2)3/h9H,4-8H2,1-3H3,(H2,13,16)/t12-/m1/s1.
What are the key properties of (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 158485166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).