2,5-diamino-4-methyl-5-oxopentanoic acid

C6H12N2O3 — CID 19418247

IUPAC2,5-diamino-4-methyl-5-oxopentanoic acid
SMILESCC(CC(N)C(=O)O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H2,8,9)(H,10,11)
InChIKeyYWSYZEMJPFOFKY-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.09
Rot. Bonds4

About 2,5-diamino-4-methyl-5-oxopentanoic acid

2,5-diamino-4-methyl-5-oxopentanoic acid (PubChem CID 19418247) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,5-diamino-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name2,5-diamino-4-methyl-5-oxopentanoic acid
PubChem CID19418247
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2,5-diamino-4-methyl-5-oxopentanoic acid
SMILESCC(CC(N)C(=O)O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H2,8,9)(H,10,11)
InChIKeyYWSYZEMJPFOFKY-UHFFFAOYSA-N
XLogP-1.09
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid
CID 22809795
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-methyl-5-oxopentanoic acid?
The IUPAC name of 2,5-diamino-4-methyl-5-oxopentanoic acid (CID 19418247) is 2,5-diamino-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for 2,5-diamino-4-methyl-5-oxopentanoic acid?
The canonical SMILES for 2,5-diamino-4-methyl-5-oxopentanoic acid is CC(CC(N)C(=O)O)C(N)=O.
What is the InChIKey of 2,5-diamino-4-methyl-5-oxopentanoic acid?
The InChIKey is YWSYZEMJPFOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H2,8,9)(H,10,11).
What are the key properties of 2,5-diamino-4-methyl-5-oxopentanoic acid?
2,5-diamino-4-methyl-5-oxopentanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 19418247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).