potassium 3-(methylamino)-4-oxopentanoate

C6H10KNO3 — CID 21339511

IUPACpotassium 3-(methylamino)-4-oxopentanoate
SMILESCNC(CC(=O)[O-])C(C)=O.[K+]
InChIInChI=1S/C6H11NO3.K/c1-4(8)5(7-2)3-6(9)10;/h5,7H,3H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyDVKAHLCGDAEAMR-UHFFFAOYSA-M
MW183.25 g/mol
LogP-4.69
Rot. Bonds4

About potassium 3-(methylamino)-4-oxopentanoate

potassium 3-(methylamino)-4-oxopentanoate (PubChem CID 21339511) has the molecular formula C6H10KNO3 and a molecular weight of 183.25 g/mol. Its IUPAC name is potassium 3-(methylamino)-4-oxopentanoate.

Molecular Properties

Compound Namepotassium 3-(methylamino)-4-oxopentanoate
PubChem CID21339511
Molecular FormulaC6H10KNO3
Molecular Weight183.25 g/mol
Exact Mass183.03
IUPAC Namepotassium 3-(methylamino)-4-oxopentanoate
SMILESCNC(CC(=O)[O-])C(C)=O.[K+]
InChIInChI=1S/C6H11NO3.K/c1-4(8)5(7-2)3-6(9)10;/h5,7H,3H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyDVKAHLCGDAEAMR-UHFFFAOYSA-M
XLogP-4.69
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-4.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methylaminolevulinic acid
CID 18730697
(3S)-3-(methylamino)-4-oxopentanoic acid
CID 53897766
5-Fluoro-3-(methylamino)-4-oxopentanoic acid
CID 21137008
Methyl 5-fluoro-3-(methylamino)-4-oxopentanoate
CID 117982700
CID 166600374
CID 166600374
(2R)-2-(methylamino)-4-oxopentanoic acid
CID 10975615
3-(Methylamino)-4-oxopentanoic acid
CID 18722032
2-(Methylamino)-4-oxopentanoate
CID 21151261
Methyl 2-(methylamino)-4-oxopentanoate
CID 23525825
Diphosphanyl 3-(methylamino)-4-oxopentanoate
CID 54224758
Sodium 3-(methylamino)-4-oxopentanoate
CID 57774020
(2S)-2-(methylamino)-4-oxopentanoic acid
CID 59048265

Frequently Asked Questions

What is the IUPAC name of potassium 3-(methylamino)-4-oxopentanoate?
The IUPAC name of potassium 3-(methylamino)-4-oxopentanoate (CID 21339511) is potassium 3-(methylamino)-4-oxopentanoate.
What is the SMILES notation for potassium 3-(methylamino)-4-oxopentanoate?
The canonical SMILES for potassium 3-(methylamino)-4-oxopentanoate is CNC(CC(=O)[O-])C(C)=O.[K+].
What is the InChIKey of potassium 3-(methylamino)-4-oxopentanoate?
The InChIKey is DVKAHLCGDAEAMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3.K/c1-4(8)5(7-2)3-6(9)10;/h5,7H,3H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 3-(methylamino)-4-oxopentanoate?
potassium 3-(methylamino)-4-oxopentanoate has a molecular weight of 183.25 g/mol, XLogP of -4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(methylamino)-4-oxopentanoate is sourced from PubChem (CID 21339511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).