methyl 4-[methoxycarbonyl(methyl)amino]butanoate

C8H15NO4 — CID 59929464

IUPACmethyl 4-[methoxycarbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)OC
InChIInChI=1S/C8H15NO4/c1-9(8(11)13-3)6-4-5-7(10)12-2/h4-6H2,1-3H3
InChIKeyOHVZEDVWRKCBSI-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.64
Rot. Bonds4

About methyl 4-[methoxycarbonyl(methyl)amino]butanoate

methyl 4-[methoxycarbonyl(methyl)amino]butanoate (PubChem CID 59929464) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 4-[methoxycarbonyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methoxycarbonyl(methyl)amino]butanoate
PubChem CID59929464
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 4-[methoxycarbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)OC
InChIInChI=1S/C8H15NO4/c1-9(8(11)13-3)6-4-5-7(10)12-2/h4-6H2,1-3H3
InChIKeyOHVZEDVWRKCBSI-UHFFFAOYSA-N
XLogP0.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methoxycarbonyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[methoxycarbonyl(methyl)amino]butanoate (CID 59929464) is methyl 4-[methoxycarbonyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methoxycarbonyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[methoxycarbonyl(methyl)amino]butanoate is COC(=O)CCCN(C)C(=O)OC.
What is the InChIKey of methyl 4-[methoxycarbonyl(methyl)amino]butanoate?
The InChIKey is OHVZEDVWRKCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-9(8(11)13-3)6-4-5-7(10)12-2/h4-6H2,1-3H3.
What are the key properties of methyl 4-[methoxycarbonyl(methyl)amino]butanoate?
methyl 4-[methoxycarbonyl(methyl)amino]butanoate has a molecular weight of 189.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methoxycarbonyl(methyl)amino]butanoate is sourced from PubChem (CID 59929464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).