methyl 3-(methylamino)butanoate

C6H13NO2 — CID 12636115

IUPACmethyl 3-(methylamino)butanoate
SMILESCNC(C)CC(=O)OC
InChIInChI=1S/C6H13NO2/c1-5(7-2)4-6(8)9-3/h5,7H,4H2,1-3H3
InChIKeyHMEOAJAQJYMXBL-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds3

About methyl 3-(methylamino)butanoate

methyl 3-(methylamino)butanoate (PubChem CID 12636115) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl 3-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(methylamino)butanoate
PubChem CID12636115
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namemethyl 3-(methylamino)butanoate
SMILESCNC(C)CC(=O)OC
InChIInChI=1S/C6H13NO2/c1-5(7-2)4-6(8)9-3/h5,7H,4H2,1-3H3
InChIKeyHMEOAJAQJYMXBL-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)butanoate?
The IUPAC name of methyl 3-(methylamino)butanoate (CID 12636115) is methyl 3-(methylamino)butanoate.
What is the SMILES notation for methyl 3-(methylamino)butanoate?
The canonical SMILES for methyl 3-(methylamino)butanoate is CNC(C)CC(=O)OC.
What is the InChIKey of methyl 3-(methylamino)butanoate?
The InChIKey is HMEOAJAQJYMXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7-2)4-6(8)9-3/h5,7H,4H2,1-3H3.
What are the key properties of methyl 3-(methylamino)butanoate?
methyl 3-(methylamino)butanoate has a molecular weight of 131.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)butanoate is sourced from PubChem (CID 12636115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).