2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid

C15H27NO3 — CID 79894051

IUPAC2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
SMILESCC(CN(C)C1CCOC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-12(14(17)18)11-16(2)13-6-9-19-15(10-13)7-4-3-5-8-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyPCRUNRJDCPOVQQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid

2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid (PubChem CID 79894051) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
PubChem CID79894051
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
SMILESCC(CN(C)C1CCOC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-12(14(17)18)11-16(2)13-6-9-19-15(10-13)7-4-3-5-8-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyPCRUNRJDCPOVQQ-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid with MolForge

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Related Compounds

N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893899
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methylpropanoic acid
CID 65066992
methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
CID 79919397
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid (CID 79894051) is 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid is CC(CN(C)C1CCOC2(CCCCC2)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid?
The InChIKey is PCRUNRJDCPOVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(14(17)18)11-16(2)13-6-9-19-15(10-13)7-4-3-5-8-15/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid?
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid is sourced from PubChem (CID 79894051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).