2-(methylamino)-4-oxopentanoate

C6H10NO3- — CID 21151261

IUPAC2-(methylamino)-4-oxopentanoate
SMILESCNC(CC(C)=O)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(8)3-5(7-2)6(9)10/h5,7H,3H2,1-2H3,(H,9,10)/p-1
InChIKeyPVFFUHAAOKXVTK-UHFFFAOYSA-M
MW144.15 g/mol
LogP-1.70
Rot. Bonds4

About 2-(methylamino)-4-oxopentanoate

2-(methylamino)-4-oxopentanoate (PubChem CID 21151261) has the molecular formula C6H10NO3- and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-(methylamino)-4-oxopentanoate.

Molecular Properties

Compound Name2-(methylamino)-4-oxopentanoate
PubChem CID21151261
Molecular FormulaC6H10NO3-
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-(methylamino)-4-oxopentanoate
SMILESCNC(CC(C)=O)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(8)3-5(7-2)6(9)10/h5,7H,3H2,1-2H3,(H,9,10)/p-1
InChIKeyPVFFUHAAOKXVTK-UHFFFAOYSA-M
XLogP-1.70
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-oxopentanoate?
The IUPAC name of 2-(methylamino)-4-oxopentanoate (CID 21151261) is 2-(methylamino)-4-oxopentanoate.
What is the SMILES notation for 2-(methylamino)-4-oxopentanoate?
The canonical SMILES for 2-(methylamino)-4-oxopentanoate is CNC(CC(C)=O)C(=O)[O-].
What is the InChIKey of 2-(methylamino)-4-oxopentanoate?
The InChIKey is PVFFUHAAOKXVTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3/c1-4(8)3-5(7-2)6(9)10/h5,7H,3H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 2-(methylamino)-4-oxopentanoate?
2-(methylamino)-4-oxopentanoate has a molecular weight of 144.15 g/mol, XLogP of -1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-oxopentanoate is sourced from PubChem (CID 21151261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).