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

C10H23NO3 — CID 160900600

IUPACethyl 3-(methylamino)-4-oxopentanoate;methane
SMILESC.C.CCOC(=O)CC(NC)C(C)=O
InChIInChI=1S/C8H15NO3.2CH4/c1-4-12-8(11)5-7(9-3)6(2)10;;/h7,9H,4-5H2,1-3H3;2*1H4
InChIKeySPLIWHCLHMMYFW-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.39
Rot. Bonds5

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

ethyl 3-(methylamino)-4-oxopentanoate;methane (PubChem CID 160900600) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethyl 3-(methylamino)-4-oxopentanoate;methane.

Molecular Properties

Compound Nameethyl 3-(methylamino)-4-oxopentanoate;methane
PubChem CID160900600
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Nameethyl 3-(methylamino)-4-oxopentanoate;methane
SMILESC.C.CCOC(=O)CC(NC)C(C)=O
InChIInChI=1S/C8H15NO3.2CH4/c1-4-12-8(11)5-7(9-3)6(2)10;;/h7,9H,4-5H2,1-3H3;2*1H4
InChIKeySPLIWHCLHMMYFW-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-4-oxopentanoate;methane?
The IUPAC name of ethyl 3-(methylamino)-4-oxopentanoate;methane (CID 160900600) is ethyl 3-(methylamino)-4-oxopentanoate;methane.
What is the SMILES notation for ethyl 3-(methylamino)-4-oxopentanoate;methane?
The canonical SMILES for ethyl 3-(methylamino)-4-oxopentanoate;methane is C.C.CCOC(=O)CC(NC)C(C)=O.
What is the InChIKey of ethyl 3-(methylamino)-4-oxopentanoate;methane?
The InChIKey is SPLIWHCLHMMYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.2CH4/c1-4-12-8(11)5-7(9-3)6(2)10;;/h7,9H,4-5H2,1-3H3;2*1H4.
What are the key properties of ethyl 3-(methylamino)-4-oxopentanoate;methane?
ethyl 3-(methylamino)-4-oxopentanoate;methane has a molecular weight of 205.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-4-oxopentanoate;methane is sourced from PubChem (CID 160900600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).