N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide

C9H18N2O2 — CID 63714919

IUPACN-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCC(CO)NC(=O)C1CNCC1C
InChIInChI=1S/C9H18N2O2/c1-6-3-10-4-8(6)9(13)11-7(2)5-12/h6-8,10,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyKHVAIVAROCLKGM-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.66
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide

N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714919) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63714919
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCC(CO)NC(=O)C1CNCC1C
InChIInChI=1S/C9H18N2O2/c1-6-3-10-4-8(6)9(13)11-7(2)5-12/h6-8,10,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyKHVAIVAROCLKGM-UHFFFAOYSA-N
XLogP-0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714601
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide (CID 63714919) is N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide is CC(CO)NC(=O)C1CNCC1C.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is KHVAIVAROCLKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-3-10-4-8(6)9(13)11-7(2)5-12/h6-8,10,12H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide?
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).