N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide

C10H20N2O — CID 63005391

IUPACN-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCNC1
InChIInChI=1S/C10H20N2O/c1-7(2)8(3)12-10(13)9-4-5-11-6-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyBRCKKTGIHHLKBW-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.76
Rot. Bonds3

About N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide

N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 63005391) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
PubChem CID63005391
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCNC1
InChIInChI=1S/C10H20N2O/c1-7(2)8(3)12-10(13)9-4-5-11-6-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyBRCKKTGIHHLKBW-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide
CID 130481480
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377
N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 63005398
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
tert-butyl (2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoate
CID 175766153

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide (CID 63005391) is N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide is CC(C)C(C)NC(=O)C1CCNC1.
What is the InChIKey of N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is BRCKKTGIHHLKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)8(3)12-10(13)9-4-5-11-6-9/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide?
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).