methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate

C12H23NO3 — CID 61434381

IUPACmethyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
SMILESCCN(CCCC(=O)OC)CC1CCCO1
InChIInChI=1S/C12H23NO3/c1-3-13(8-4-7-12(14)15-2)10-11-6-5-9-16-11/h11H,3-10H2,1-2H3
InChIKeyVFVZXCBDTOBFJH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds7

About methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate

methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate (PubChem CID 61434381) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
PubChem CID61434381
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
SMILESCCN(CCCC(=O)OC)CC1CCCO1
InChIInChI=1S/C12H23NO3/c1-3-13(8-4-7-12(14)15-2)10-11-6-5-9-16-11/h11H,3-10H2,1-2H3
InChIKeyVFVZXCBDTOBFJH-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 115536607
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-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
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-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964095
3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82328774

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
The IUPAC name of methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate (CID 61434381) is methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate is CCN(CCCC(=O)OC)CC1CCCO1.
What is the InChIKey of methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
The InChIKey is VFVZXCBDTOBFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-13(8-4-7-12(14)15-2)10-11-6-5-9-16-11/h11H,3-10H2,1-2H3.
What are the key properties of methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate?
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate is sourced from PubChem (CID 61434381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).