1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid

C14H24N2O2 — CID 165487197

IUPAC1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid
SMILESNC1CC12CCC(N1CCCC(C(=O)O)C1)CC2
InChIInChI=1S/C14H24N2O2/c15-12-8-14(12)5-3-11(4-6-14)16-7-1-2-10(9-16)13(17)18/h10-12H,1-9,15H2,(H,17,18)
InChIKeyNUSQVEWZNFCCCL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid

1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid (PubChem CID 165487197) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid
PubChem CID165487197
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid
SMILESNC1CC12CCC(N1CCCC(C(=O)O)C1)CC2
InChIInChI=1S/C14H24N2O2/c15-12-8-14(12)5-3-11(4-6-14)16-7-1-2-10(9-16)13(17)18/h10-12H,1-9,15H2,(H,17,18)
InChIKeyNUSQVEWZNFCCCL-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-piperidin-1-ylspiro[2.5]octan-2-amine
CID 165487201
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
1-(oxolan-3-yl)piperidine-3-carboxylic acid
CID 63557363
1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid
CID 80699838
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
6-(4-methylpiperazin-1-yl)spiro[2.5]octan-2-amine
CID 165476058
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)piperidine-3-carboxylic acid
CID 63155393

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid (CID 165487197) is 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid is NC1CC12CCC(N1CCCC(C(=O)O)C1)CC2.
What is the InChIKey of 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid?
The InChIKey is NUSQVEWZNFCCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-12-8-14(12)5-3-11(4-6-14)16-7-1-2-10(9-16)13(17)18/h10-12H,1-9,15H2,(H,17,18).
What are the key properties of 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid?
1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminospiro[2.5]octan-6-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165487197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).