2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid

C15H24N2O5 — CID 24805629

IUPAC2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@]12CCCN(CC(=O)O)C2=O
InChIInChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)17-9-5-7-15(17)6-4-8-16(12(15)20)10-11(18)19/h4-10H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyWVAWPWUXGFUHJU-HNNXBMFYSA-N
MW312.37 g/mol
LogP1.46
Rot. Bonds2

About 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid

2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid (PubChem CID 24805629) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
PubChem CID24805629
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@]12CCCN(CC(=O)O)C2=O
InChIInChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)17-9-5-7-15(17)6-4-8-16(12(15)20)10-11(18)19/h4-10H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyWVAWPWUXGFUHJU-HNNXBMFYSA-N
XLogP1.46
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 90330211
tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 24805627
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
CID 10250034
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
CID 59102586
3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576
tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 118589521

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The IUPAC name of 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid (CID 24805629) is 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The canonical SMILES for 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid is CC(C)(C)OC(=O)N1CCC[C@]12CCCN(CC(=O)O)C2=O.
What is the InChIKey of 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The InChIKey is WVAWPWUXGFUHJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)17-9-5-7-15(17)6-4-8-16(12(15)20)10-11(18)19/h4-10H2,1-3H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid?
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid is sourced from PubChem (CID 24805629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).