1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H21N3O4 — CID 72860294

IUPAC1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)on1
InChIInChI=1S/C15H21N3O4/c1-10-7-11(22-16-10)9-18-5-3-15(4-6-18)12(14(20)21)8-13(19)17(15)2/h7,12H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyAACGETNIYBHCDM-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.88
Rot. Bonds3

About 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72860294) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72860294
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)on1
InChIInChI=1S/C15H21N3O4/c1-10-7-11(22-16-10)9-18-5-3-15(4-6-18)12(14(20)21)8-13(19)17(15)2/h7,12H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyAACGETNIYBHCDM-UHFFFAOYSA-N
XLogP0.88
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

2-(1-{[5-(Methylethyl)isoxazol-3-yl]methyl}-4-piperidyl)acetic acid
CID 25248472
Ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47053811
1-(Cyclopentylcarbonyl)-4-{[2-(3-methyl-5-isoxazolyl)-1-pyrrolidinyl]carbonyl}piperidine
CID 72848145
2-{9-[(3-Methyl-5-isoxazolyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undec-2-yl}propanoic acid
CID 72861458
8-[(3,5-Dimethylisoxazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72924565
(2S)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 99639522
3-Fluoro-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259269
3-Fluoro-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259696
(3S,4S)-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950425
(3S,4S)-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951588
cis-(1S,3R)-3-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066850
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 154888475

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72860294) is 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)on1.
What is the InChIKey of 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is AACGETNIYBHCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-7-11(22-16-10)9-18-5-3-15(4-6-18)12(14(20)21)8-13(19)17(15)2/h7,12H,3-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72860294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).