methane;methyl 3-(methylamino)-4-oxopentanoate

C9H21NO3 — CID 159910567

IUPACmethane;methyl 3-(methylamino)-4-oxopentanoate
SMILESC.C.CNC(CC(=O)OC)C(C)=O
InChIInChI=1S/C7H13NO3.2CH4/c1-5(9)6(8-2)4-7(10)11-3;;/h6,8H,4H2,1-3H3;2*1H4
InChIKeyNXDCXISOAOYPKH-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.00
Rot. Bonds4

About methane;methyl 3-(methylamino)-4-oxopentanoate

methane;methyl 3-(methylamino)-4-oxopentanoate (PubChem CID 159910567) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is methane;methyl 3-(methylamino)-4-oxopentanoate.

Molecular Properties

Compound Namemethane;methyl 3-(methylamino)-4-oxopentanoate
PubChem CID159910567
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Namemethane;methyl 3-(methylamino)-4-oxopentanoate
SMILESC.C.CNC(CC(=O)OC)C(C)=O
InChIInChI=1S/C7H13NO3.2CH4/c1-5(9)6(8-2)4-7(10)11-3;;/h6,8H,4H2,1-3H3;2*1H4
InChIKeyNXDCXISOAOYPKH-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;methyl 3-(methylamino)-4-oxopentanoate?
The IUPAC name of methane;methyl 3-(methylamino)-4-oxopentanoate (CID 159910567) is methane;methyl 3-(methylamino)-4-oxopentanoate.
What is the SMILES notation for methane;methyl 3-(methylamino)-4-oxopentanoate?
The canonical SMILES for methane;methyl 3-(methylamino)-4-oxopentanoate is C.C.CNC(CC(=O)OC)C(C)=O.
What is the InChIKey of methane;methyl 3-(methylamino)-4-oxopentanoate?
The InChIKey is NXDCXISOAOYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.2CH4/c1-5(9)6(8-2)4-7(10)11-3;;/h6,8H,4H2,1-3H3;2*1H4.
What are the key properties of methane;methyl 3-(methylamino)-4-oxopentanoate?
methane;methyl 3-(methylamino)-4-oxopentanoate has a molecular weight of 191.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 3-(methylamino)-4-oxopentanoate is sourced from PubChem (CID 159910567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).