8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C13H17N5O3 — CID 72865480

IUPAC8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESNc1ccnc(N2CCC3(CC2)NC(=O)CC3C(=O)O)n1
InChIInChI=1S/C13H17N5O3/c14-9-1-4-15-12(16-9)18-5-2-13(3-6-18)8(11(20)21)7-10(19)17-13/h1,4,8H,2-3,5-7H2,(H,17,19)(H,20,21)(H2,14,15,16)
InChIKeyRTUSSLJPTQZWLT-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.38
Rot. Bonds2

About 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72865480) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72865480
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESNc1ccnc(N2CCC3(CC2)NC(=O)CC3C(=O)O)n1
InChIInChI=1S/C13H17N5O3/c14-9-1-4-15-12(16-9)18-5-2-13(3-6-18)8(11(20)21)7-10(19)17-13/h1,4,8H,2-3,5-7H2,(H,17,19)(H,20,21)(H2,14,15,16)
InChIKeyRTUSSLJPTQZWLT-UHFFFAOYSA-N
XLogP-0.38
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(Ethylamino)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72915520
8-(4-Amino-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887185
8-(2-Amino-6-methylpyrimidin-4-YL)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72860015
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}acetic acid
CID 90487992
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
8-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72876461
(4S)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195439
(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195440
cis-(1S,3R)-3-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066854
(2S)-2-amino-3-(1-carbamoyl-4-pyrimidin-2-ylpiperazin-2-yl)butanedioic acid
CID 54177593
1-Pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid
CID 123615540

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72865480) is 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Nc1ccnc(N2CCC3(CC2)NC(=O)CC3C(=O)O)n1.
What is the InChIKey of 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is RTUSSLJPTQZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c14-9-1-4-15-12(16-9)18-5-2-13(3-6-18)8(11(20)21)7-10(19)17-13/h1,4,8H,2-3,5-7H2,(H,17,19)(H,20,21)(H2,14,15,16).
What are the key properties of 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminopyrimidin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72865480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).