(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide

C9H18N2O — CID 54558702

IUPAC(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyZOZYJUGXZKLLEK-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds3

About (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide

(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide (PubChem CID 54558702) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
PubChem CID54558702
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyZOZYJUGXZKLLEK-QMMMGPOBSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
CID 112698005
(2R)-N-methyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 103885144
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
N-[2-(diethylamino)ethyl]-N-methylpiperidine-2-carboxamide
CID 119054103
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
N-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 80710136
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide (CID 54558702) is (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide is CCCN(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is ZOZYJUGXZKLLEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h8,10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide?
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54558702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).