2-(methylamino)-4-oxopentanoic acid

C6H11NO3 — CID 18730697

IUPAC2-(methylamino)-4-oxopentanoic acid
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)
InChIKeyPVFFUHAAOKXVTK-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.36
Rot. Bonds4

About 2-(methylamino)-4-oxopentanoic acid

2-(methylamino)-4-oxopentanoic acid (PubChem CID 18730697) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-oxopentanoic acid
PubChem CID18730697
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(methylamino)-4-oxopentanoic acid
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)
InChIKeyPVFFUHAAOKXVTK-UHFFFAOYSA-N
XLogP-0.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-oxopentanoic acid?
The IUPAC name of 2-(methylamino)-4-oxopentanoic acid (CID 18730697) is 2-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for 2-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for 2-(methylamino)-4-oxopentanoic acid is CNC(CC(C)=O)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-oxopentanoic acid?
The InChIKey is PVFFUHAAOKXVTK-UHFFFAOYSA-N. 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).
What are the key properties of 2-(methylamino)-4-oxopentanoic acid?
2-(methylamino)-4-oxopentanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 18730697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).