8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

C18H29NO4 — CID 138029394

IUPAC8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCC1CCC(CC(=O)NC2CCOC3(C2)CC(C(=O)O)C3)CC1
InChIInChI=1S/C18H29NO4/c1-12-2-4-13(5-3-12)8-16(20)19-15-6-7-23-18(11-15)9-14(10-18)17(21)22/h12-15H,2-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyOKQHYAJTXOAITH-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.73
Rot. Bonds4

About 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 138029394) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID138029394
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCC1CCC(CC(=O)NC2CCOC3(C2)CC(C(=O)O)C3)CC1
InChIInChI=1S/C18H29NO4/c1-12-2-4-13(5-3-12)8-16(20)19-15-6-7-23-18(11-15)9-14(10-18)17(21)22/h12-15H,2-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyOKQHYAJTXOAITH-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid with MolForge

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Related Compounds

8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029398
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029363
8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 126812350
8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029372
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211
8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 154782864
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
N-(4-methylcyclohexyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 149102304
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (CID 138029394) is 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is CC1CCC(CC(=O)NC2CCOC3(C2)CC(C(=O)O)C3)CC1.
What is the InChIKey of 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is OKQHYAJTXOAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-12-2-4-13(5-3-12)8-16(20)19-15-6-7-23-18(11-15)9-14(10-18)17(21)22/h12-15H,2-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 323.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 138029394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).