2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid

C14H19N3O2 — CID 122160567

IUPAC2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(c2ncccn2)CC12CCCCC2
InChIInChI=1S/C14H19N3O2/c18-12(19)11-9-17(13-15-7-4-8-16-13)10-14(11)5-2-1-3-6-14/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyHOPSRZBXDDVORP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.95
Rot. Bonds2

About 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid

2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 122160567) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID122160567
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(c2ncccn2)CC12CCCCC2
InChIInChI=1S/C14H19N3O2/c18-12(19)11-9-17(13-15-7-4-8-16-13)10-14(11)5-2-1-3-6-14/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyHOPSRZBXDDVORP-UHFFFAOYSA-N
XLogP1.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid
CID 122160569
2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110155615
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
5-(4-isocyanopyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
CID 164829643
2-(5-chloro-2-morpholin-4-ylpyrimidine-4-carbonyl)-2-azaspiro[4.4]nonane-4-carboxylic acid
CID 167817741
(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 154340043
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane
CID 123465502
(3aR,6aR)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-pyrimidin-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50979830

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid (CID 122160567) is 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid is O=C(O)C1CN(c2ncccn2)CC12CCCCC2.
What is the InChIKey of 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is HOPSRZBXDDVORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-12(19)11-9-17(13-15-7-4-8-16-13)10-14(11)5-2-1-3-6-14/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid?
2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 122160567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).