2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid

C17H29NO3 — CID 104598676

IUPAC2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-16(15(19)20)8-5-6-11-18(16)14-7-12-21-17(13-14)9-3-2-4-10-17/h14H,2-13H2,1H3,(H,19,20)
InChIKeyIYCNWVJZZJTEFI-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid

2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid (PubChem CID 104598676) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
PubChem CID104598676
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-16(15(19)20)8-5-6-11-18(16)14-7-12-21-17(13-14)9-3-2-4-10-17/h14H,2-13H2,1H3,(H,19,20)
InChIKeyIYCNWVJZZJTEFI-UHFFFAOYSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902972
1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 104599255
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
CID 104599068
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79901492
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid (CID 104598676) is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid?
The InChIKey is IYCNWVJZZJTEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-16(15(19)20)8-5-6-11-18(16)14-7-12-21-17(13-14)9-3-2-4-10-17/h14H,2-13H2,1H3,(H,19,20).
What are the key properties of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid?
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).