butyl 2-(methylamino)acetate;methane

C8H19NO2 — CID 157477406

IUPACbutyl 2-(methylamino)acetate;methane
SMILESC.CCCCOC(=O)CNC
InChIInChI=1S/C7H15NO2.CH4/c1-3-4-5-10-7(9)6-8-2;/h8H,3-6H2,1-2H3;1H4
InChIKeyBVTITTHKWFOWJW-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.19
Rot. Bonds5

About butyl 2-(methylamino)acetate;methane

butyl 2-(methylamino)acetate;methane (PubChem CID 157477406) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is butyl 2-(methylamino)acetate;methane.

Molecular Properties

Compound Namebutyl 2-(methylamino)acetate;methane
PubChem CID157477406
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Namebutyl 2-(methylamino)acetate;methane
SMILESC.CCCCOC(=O)CNC
InChIInChI=1S/C7H15NO2.CH4/c1-3-4-5-10-7(9)6-8-2;/h8H,3-6H2,1-2H3;1H4
InChIKeyBVTITTHKWFOWJW-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;pentyl 2-(methylamino)acetate
CID 173079767
CID 156540534
CID 156540534
[(Z)-octadec-9-enyl] 2-(methylamino)acetate
CID 6436362
butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 83014680
2-aminoethyl 2-(methylamino)acetate
CID 174621897
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
butyl 6-(methylamino)hexanoate
CID 14437323
butyl 2-(octylamino)acetate
CID 115567498
3-(2-oxobutoxy)propyl 2-(methylamino)acetate
CID 59946828
3-butoxy-3-oxopropanoic acid
CID 21201188
10-O-butyl 1-O-methyl decanedioate
CID 22057000
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769

Frequently Asked Questions

What is the IUPAC name of butyl 2-(methylamino)acetate;methane?
The IUPAC name of butyl 2-(methylamino)acetate;methane (CID 157477406) is butyl 2-(methylamino)acetate;methane.
What is the SMILES notation for butyl 2-(methylamino)acetate;methane?
The canonical SMILES for butyl 2-(methylamino)acetate;methane is C.CCCCOC(=O)CNC.
What is the InChIKey of butyl 2-(methylamino)acetate;methane?
The InChIKey is BVTITTHKWFOWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.CH4/c1-3-4-5-10-7(9)6-8-2;/h8H,3-6H2,1-2H3;1H4.
What are the key properties of butyl 2-(methylamino)acetate;methane?
butyl 2-(methylamino)acetate;methane has a molecular weight of 161.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(methylamino)acetate;methane is sourced from PubChem (CID 157477406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).