methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate

C14H28N2O3 — CID 113237140

IUPACmethyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCCN(C)C)CC1CCCO1
InChIInChI=1S/C14H28N2O3/c1-15(2)8-5-9-16(10-7-14(17)18-3)12-13-6-4-11-19-13/h13H,4-12H2,1-3H3
InChIKeyCFPSBLGYROTSTH-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.98
Rot. Bonds9

About methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 113237140) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
PubChem CID113237140
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCCN(C)C)CC1CCCO1
InChIInChI=1S/C14H28N2O3/c1-15(2)8-5-9-16(10-7-14(17)18-3)12-13-6-4-11-19-13/h13H,4-12H2,1-3H3
InChIKeyCFPSBLGYROTSTH-UHFFFAOYSA-N
XLogP0.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 115536607
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 115536638
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964261
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate (CID 113237140) is methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CCCN(C)C)CC1CCCO1.
What is the InChIKey of methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is CFPSBLGYROTSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-15(2)8-5-9-16(10-7-14(17)18-3)12-13-6-4-11-19-13/h13H,4-12H2,1-3H3.
What are the key properties of methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 272.39 g/mol, XLogP of 0.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 113237140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).