methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate

C15H27NO3 — CID 79919397

IUPACmethyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
SMILESCOC(=O)CCN(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO3/c1-16(10-6-14(17)18-2)13-7-11-19-15(12-13)8-4-3-5-9-15/h13H,3-12H2,1-2H3
InChIKeyDNYAPQRDTHUNJG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.36
Rot. Bonds4

About methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate

methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate (PubChem CID 79919397) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
PubChem CID79919397
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
SMILESCOC(=O)CCN(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO3/c1-16(10-6-14(17)18-2)13-7-11-19-15(12-13)8-4-3-5-9-15/h13H,3-12H2,1-2H3
InChIKeyDNYAPQRDTHUNJG-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate 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

methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
CID 79919754
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
3-[tert-butyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79901108
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid
CID 79893598
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032
3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
CID 114761198
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate (CID 79919397) is methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate is COC(=O)CCN(C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate?
The InChIKey is DNYAPQRDTHUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-16(10-6-14(17)18-2)13-7-11-19-15(12-13)8-4-3-5-9-15/h13H,3-12H2,1-2H3.
What are the key properties of methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate?
methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate has a molecular weight of 269.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate is sourced from PubChem (CID 79919397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).