N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide

C18H30N2O3 — CID 128656168

IUPACN-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC(C)C1N(C(=O)C(NC(=O)C2CC2)C(C)O)CC12CCCC2
InChIInChI=1S/C18H30N2O3/c1-11(2)15-18(8-4-5-9-18)10-20(15)17(23)14(12(3)21)19-16(22)13-6-7-13/h11-15,21H,4-10H2,1-3H3,(H,19,22)
InChIKeyLNJSZBXJADKCKH-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.69
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide

N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide (PubChem CID 128656168) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide
PubChem CID128656168
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide
SMILESCC(C)C1N(C(=O)C(NC(=O)C2CC2)C(C)O)CC12CCCC2
InChIInChI=1S/C18H30N2O3/c1-11(2)15-18(8-4-5-9-18)10-20(15)17(23)14(12(3)21)19-16(22)13-6-7-13/h11-15,21H,4-10H2,1-3H3,(H,19,22)
InChIKeyLNJSZBXJADKCKH-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.69
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-[1-(2,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016102
N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014814
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
N-[1-(4-tert-butylazepan-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015863
N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015949
N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013927
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014380
1-[2-[[1-(2-amino-3-carboxypropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18252423
N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014294

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide (CID 128656168) is N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide is CC(C)C1N(C(=O)C(NC(=O)C2CC2)C(C)O)CC12CCCC2.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide?
The InChIKey is LNJSZBXJADKCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-11(2)15-18(8-4-5-9-18)10-20(15)17(23)14(12(3)21)19-16(22)13-6-7-13/h11-15,21H,4-10H2,1-3H3,(H,19,22).
What are the key properties of N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide?
N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(3-propan-2-yl-2-azaspiro[3.4]octan-2-yl)butan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 128656168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).