methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate

C16H30N2O3 — CID 115536607

IUPACmethyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CCCN1CCCC1)CC1CCCO1
InChIInChI=1S/C16H30N2O3/c1-20-16(19)7-12-18(14-15-6-4-13-21-15)11-5-10-17-8-2-3-9-17/h15H,2-14H2,1H3
InChIKeyJTHHCEZFFNHHKO-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.52
Rot. Bonds9

About methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate

methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate (PubChem CID 115536607) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
PubChem CID115536607
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CCCN1CCCC1)CC1CCCO1
InChIInChI=1S/C16H30N2O3/c1-20-16(19)7-12-18(14-15-6-4-13-21-15)11-5-10-17-8-2-3-9-17/h15H,2-14H2,1H3
InChIKeyJTHHCEZFFNHHKO-UHFFFAOYSA-N
XLogP1.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
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-[[1-(cyanomethyl)cyclopropyl]methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 115536657
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585

Frequently Asked Questions

What is the IUPAC name of methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate (CID 115536607) is methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate is COC(=O)CCN(CCCN1CCCC1)CC1CCCO1.
What is the InChIKey of methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
The InChIKey is JTHHCEZFFNHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-20-16(19)7-12-18(14-15-6-4-13-21-15)11-5-10-17-8-2-3-9-17/h15H,2-14H2,1H3.
What are the key properties of methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate has a molecular weight of 298.43 g/mol, XLogP of 1.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate is sourced from PubChem (CID 115536607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).