(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide

C11H22N2O — CID 61156228

IUPAC(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(C(=O)[C@@H]1CCCN1)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-8-13(9(2)3)11(14)10-6-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyYMRAUCSZQVSJRI-JTQLQIEISA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds4

About (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide

(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide (PubChem CID 61156228) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
PubChem CID61156228
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(C(=O)[C@@H]1CCCN1)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-8-13(9(2)3)11(14)10-6-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyYMRAUCSZQVSJRI-JTQLQIEISA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 93173809
2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
4-methyl-N-propan-2-yl-N-propylpiperidine-2-carboxamide
CID 114422783
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 114276198
(2R)-N-butan-2-yl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 103795441
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
CID 64562282
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 61163560

Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide (CID 61156228) is (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide is CCCN(C(=O)[C@@H]1CCCN1)C(C)C.
What is the InChIKey of (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is YMRAUCSZQVSJRI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-8-13(9(2)3)11(14)10-6-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide?
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61156228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).