N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C14H24N2O3 — CID 110014814

IUPACN-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C14H24N2O3/c1-9(17)11(15-12(18)10-4-5-10)13(19)16-7-6-14(2,3)8-16/h9-11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyRAKMHNRVFBGBCR-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.52
Rot. Bonds4

About N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110014814) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110014814
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C14H24N2O3/c1-9(17)11(15-12(18)10-4-5-10)13(19)16-7-6-14(2,3)8-16/h9-11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyRAKMHNRVFBGBCR-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-azaspiro[4.5]decan-2-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014781
N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide
CID 110015987
N-[1-(3,4-dimethylpiperidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016705
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
N-[1-(4-tert-butylazepan-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015863
N-[1-(2,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016102
N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide
CID 128656168
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
1-[2-(cyclopentanecarbonylamino)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257319
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014380
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 58457785

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110014814) is N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C)(C)C1.
What is the InChIKey of N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is RAKMHNRVFBGBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(17)11(15-12(18)10-4-5-10)13(19)16-7-6-14(2,3)8-16/h9-11,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110014814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).