2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid

C14H18ClN3O2 — CID 122160569

IUPAC2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(c2ncc(Cl)cn2)CC12CCCCC2
InChIInChI=1S/C14H18ClN3O2/c15-10-6-16-13(17-7-10)18-8-11(12(19)20)14(9-18)4-2-1-3-5-14/h6-7,11H,1-5,8-9H2,(H,19,20)
InChIKeyFNQQDFHBWXAHBH-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.60
Rot. Bonds2

About 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid

2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 122160569) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID122160569
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(c2ncc(Cl)cn2)CC12CCCCC2
InChIInChI=1S/C14H18ClN3O2/c15-10-6-16-13(17-7-10)18-8-11(12(19)20)14(9-18)4-2-1-3-5-14/h6-7,11H,1-5,8-9H2,(H,19,20)
InChIKeyFNQQDFHBWXAHBH-UHFFFAOYSA-N
XLogP2.60
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 122160567
2-(5-chloro-2-morpholin-4-ylpyrimidine-4-carbonyl)-2-azaspiro[4.4]nonane-4-carboxylic acid
CID 167817741
[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 137335242
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155799926
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163345700
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid (CID 122160569) is 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid is O=C(O)C1CN(c2ncc(Cl)cn2)CC12CCCCC2.
What is the InChIKey of 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FNQQDFHBWXAHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-6-16-13(17-7-10)18-8-11(12(19)20)14(9-18)4-2-1-3-5-14/h6-7,11H,1-5,8-9H2,(H,19,20).
What are the key properties of 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid?
2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-2-yl)-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 122160569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).