2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid

C18H26N4O4 — CID 121403577

IUPAC2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN2c2ncc(C(=O)O)cn2)CC1
InChIInChI=1S/C18H26N4O4/c1-17(2,3)26-16(25)21-9-6-18(7-10-21)5-4-8-22(18)15-19-11-13(12-20-15)14(23)24/h11-12H,4-10H2,1-3H3,(H,23,24)
InChIKeyWXSHLUQNMPJOLP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.54
Rot. Bonds2

About 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid

2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 121403577) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid
PubChem CID121403577
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN2c2ncc(C(=O)O)cn2)CC1
InChIInChI=1S/C18H26N4O4/c1-17(2,3)26-16(25)21-9-6-18(7-10-21)5-4-8-22(18)15-19-11-13(12-20-15)14(23)24/h11-12H,4-10H2,1-3H3,(H,23,24)
InChIKeyWXSHLUQNMPJOLP-UHFFFAOYSA-N
XLogP2.54
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,2,3,3,5,5,6,6-octadeuterio-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 155795215
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 153362059
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 2771843
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
azane;tert-butyl piperidine-1-carboxylate
CID 134583959

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid (CID 121403577) is 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid is CC(C)(C)OC(=O)N1CCC2(CCCN2c2ncc(C(=O)O)cn2)CC1.
What is the InChIKey of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is WXSHLUQNMPJOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-17(2,3)26-16(25)21-9-6-18(7-10-21)5-4-8-22(18)15-19-11-13(12-20-15)14(23)24/h11-12H,4-10H2,1-3H3,(H,23,24).
What are the key properties of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid?
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 121403577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).