9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4O3 — CID 97136061

IUPAC9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1
InChIInChI=1S/C19H30N4O3/c1-2-16(24)18(26)22-11-6-19(7-12-22)5-4-17(25)23(14-19)10-3-9-21-13-8-20-15-21/h8,13,15-16,24H,2-7,9-12,14H2,1H3/t16-/m1/s1
InChIKeyNVTDSRZCRAJBPN-MRXNPFEDSA-N
MW362.47 g/mol
LogP1.28
Rot. Bonds6

About 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97136061) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97136061
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1
InChIInChI=1S/C19H30N4O3/c1-2-16(24)18(26)22-11-6-19(7-12-22)5-4-17(25)23(14-19)10-3-9-21-13-8-20-15-21/h8,13,15-16,24H,2-7,9-12,14H2,1H3/t16-/m1/s1
InChIKeyNVTDSRZCRAJBPN-MRXNPFEDSA-N
XLogP1.28
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-(3-imidazol-1-ylpropyl)-9-[(2S)-2-pyrrolidin-1-ylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97279786
9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122526
6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
CID 72900574
9-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72843227
9-(2-hydroxy-3-methylbutanoyl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72874579
9-[(2R,3S)-2-amino-3-hydroxybutanoyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872525
2-(2-hydroxyethyl)-9-(2-pyrazol-1-ylbutanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72846712
9-[(2S)-2-hydroxy-4-methylpentanoyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97118574
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876
2-(3-hydroxypropyl)-9-[(2R)-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97110647
N,N-diethyl-3-oxo-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72918249
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97136061) is 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one is CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1.
What is the InChIKey of 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NVTDSRZCRAJBPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-16(24)18(26)22-11-6-19(7-12-22)5-4-17(25)23(14-19)10-3-9-21-13-8-20-15-21/h8,13,15-16,24H,2-7,9-12,14H2,1H3/t16-/m1/s1.
What are the key properties of 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97136061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).