8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid

C16H29NO3 — CID 142916201

IUPAC8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid
SMILESCCCC1(CCC)CC2(CCN(C)CC2)OC1C(=O)O
InChIInChI=1S/C16H29NO3/c1-4-6-15(7-5-2)12-16(20-13(15)14(18)19)8-10-17(3)11-9-16/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyDGRWZPMOMNGMSM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.91
Rot. Bonds5

About 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid

8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 142916201) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID142916201
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid
SMILESCCCC1(CCC)CC2(CCN(C)CC2)OC1C(=O)O
InChIInChI=1S/C16H29NO3/c1-4-6-15(7-5-2)12-16(20-13(15)14(18)19)8-10-17(3)11-9-16/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyDGRWZPMOMNGMSM-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)pentanoic acid
CID 142916225
2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
CID 67903560
but-2-enedioic acid;2-ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 67712275
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
CID 173100464
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740474
10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
CID 10242847
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
CID 123369581
(Z)-but-2-enedioic acid;8-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 67712534
4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 18738818

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid (CID 142916201) is 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid is CCCC1(CCC)CC2(CCN(C)CC2)OC1C(=O)O.
What is the InChIKey of 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is DGRWZPMOMNGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-6-15(7-5-2)12-16(20-13(15)14(18)19)8-10-17(3)11-9-16/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid?
8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,3-dipropyl-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 142916201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).