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

C10H19NO3 — CID 51086819

IUPACmethyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC1CCCO1
InChIInChI=1S/C10H19NO3/c1-11(6-5-10(12)13-2)8-9-4-3-7-14-9/h9H,3-8H2,1-2H3
InChIKeySOMSTGULUPTPGO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds5

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

methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 51086819) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID51086819
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC1CCCO1
InChIInChI=1S/C10H19NO3/c1-11(6-5-10(12)13-2)8-9-4-3-7-14-9/h9H,3-8H2,1-2H3
InChIKeySOMSTGULUPTPGO-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate (CID 51086819) is methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(C)CC1CCCO1.
What is the InChIKey of methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is SOMSTGULUPTPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11(6-5-10(12)13-2)8-9-4-3-7-14-9/h9H,3-8H2,1-2H3.
What are the key properties of methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 51086819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).