8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

C18H29NO4 — CID 138029398

IUPAC8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCC1(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)CCCCCC1
InChIInChI=1S/C18H29NO4/c1-17(7-4-2-3-5-8-17)16(22)19-14-6-9-23-18(12-14)10-13(11-18)15(20)21/h13-14H,2-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyTWBPFOVJPYSDTO-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.88
Rot. Bonds3

About 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 138029398) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID138029398
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCC1(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)CCCCCC1
InChIInChI=1S/C18H29NO4/c1-17(7-4-2-3-5-8-17)16(22)19-14-6-9-23-18(12-14)10-13(11-18)15(20)21/h13-14H,2-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyTWBPFOVJPYSDTO-UHFFFAOYSA-N
XLogP2.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029394
N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide
CID 106828990
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029363
8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029372
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
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
1-cyclobutyl-1-methyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235748
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (CID 138029398) is 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is CC1(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)CCCCCC1.
What is the InChIKey of 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is TWBPFOVJPYSDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-17(7-4-2-3-5-8-17)16(22)19-14-6-9-23-18(12-14)10-13(11-18)15(20)21/h13-14H,2-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 323.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 138029398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).