3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid

C15H27N3O4 — CID 166144452

IUPAC3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(=O)N1CCC2(CC1)CN(C)CO2
InChIInChI=1S/C15H27N3O4/c1-11(2)12(13(19)20)17(4)14(21)18-7-5-15(6-8-18)9-16(3)10-22-15/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyNPOJEAVZJCVOMX-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.90
Rot. Bonds3

About 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid

3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid (PubChem CID 166144452) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid
PubChem CID166144452
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)C(=O)N1CCC2(CC1)CN(C)CO2
InChIInChI=1S/C15H27N3O4/c1-11(2)12(13(19)20)17(4)14(21)18-7-5-15(6-8-18)9-16(3)10-22-15/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyNPOJEAVZJCVOMX-UHFFFAOYSA-N
XLogP0.90
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid (CID 166144452) is 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid is CC(C)C(C(=O)O)N(C)C(=O)N1CCC2(CC1)CN(C)CO2.
What is the InChIKey of 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid?
The InChIKey is NPOJEAVZJCVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-11(2)12(13(19)20)17(4)14(21)18-7-5-15(6-8-18)9-16(3)10-22-15/h11-12H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid?
3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid has a molecular weight of 313.40 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-(3-methyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)amino]butanoic acid is sourced from PubChem (CID 166144452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).