N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide

C13H24N2O — CID 81390477

IUPACN-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-9-7-14-8-12(9)13(16)15-10(2)11-5-3-4-6-11/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10-,12?/m0/s1
InChIKeyBGJVHVUYAJEUDY-YZRBJQDESA-N
MW224.35 g/mol
LogP1.54
Rot. Bonds3

About N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide

N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 81390477) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID81390477
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-9-7-14-8-12(9)13(16)15-10(2)11-5-3-4-6-11/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10-,12?/m0/s1
InChIKeyBGJVHVUYAJEUDY-YZRBJQDESA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81385804
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 114084659
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088
3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63714654

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide (CID 81390477) is N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is BGJVHVUYAJEUDY-YZRBJQDESA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-7-14-8-12(9)13(16)15-10(2)11-5-3-4-6-11/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9?,10-,12?/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide?
N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81390477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).