8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid

C9H15NO3 — CID 126812350

IUPAC8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESNC1CCOC2(C1)CC(C(=O)O)C2
InChIInChI=1S/C9H15NO3/c10-7-1-2-13-9(5-7)3-6(4-9)8(11)12/h6-7H,1-5,10H2,(H,11,12)
InChIKeyWVZLYRVFQBHWEO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.36
Rot. Bonds1

About 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid

8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 126812350) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID126812350
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESNC1CCOC2(C1)CC(C(=O)O)C2
InChIInChI=1S/C9H15NO3/c10-7-1-2-13-9(5-7)3-6(4-9)8(11)12/h6-7H,1-5,10H2,(H,11,12)
InChIKeyWVZLYRVFQBHWEO-UHFFFAOYSA-N
XLogP0.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxaspiro[3.5]nonane-2,8-diamine
CID 167736424
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
9,9-dioxo-1-oxa-9λ6-thiaspiro[5.5]undecane-4-carboxylic acid
CID 131461751
8-[[2-(4-methylcyclohexyl)acetyl]amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029394
8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029398
(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine
CID 95335768
8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide
CID 136560980
8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide
CID 146105629
8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029372
8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029363
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid (CID 126812350) is 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid is NC1CCOC2(C1)CC(C(=O)O)C2.
What is the InChIKey of 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is WVZLYRVFQBHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c10-7-1-2-13-9(5-7)3-6(4-9)8(11)12/h6-7H,1-5,10H2,(H,11,12).
What are the key properties of 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid?
8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 126812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).