methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate

C15H29NO3 — CID 78964574

IUPACmethyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(C)(C)C)CC1CCCO1
InChIInChI=1S/C15H29NO3/c1-15(2,3)8-10-16(9-7-14(17)18-4)12-13-6-5-11-19-13/h13H,5-12H2,1-4H3
InChIKeyLQFMLFSQIMPGJF-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.47
Rot. Bonds7

About methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 78964574) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID78964574
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(C)(C)C)CC1CCCO1
InChIInChI=1S/C15H29NO3/c1-15(2,3)8-10-16(9-7-14(17)18-4)12-13-6-5-11-19-13/h13H,5-12H2,1-4H3
InChIKeyLQFMLFSQIMPGJF-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)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 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 115536638
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 115536607
methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
methyl 3-[tert-butylsulfonyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536200
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate (CID 78964574) is methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CCC(C)(C)C)CC1CCCO1.
What is the InChIKey of methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is LQFMLFSQIMPGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-15(2,3)8-10-16(9-7-14(17)18-4)12-13-6-5-11-19-13/h13H,5-12H2,1-4H3.
What are the key properties of methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 271.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 78964574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).