2,6-diamino-4-ethyl-6-oxohexanoic acid

C8H16N2O3 — CID 87815600

IUPAC2,6-diamino-4-ethyl-6-oxohexanoic acid
SMILESCCC(CC(N)=O)CC(N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-5(4-7(10)11)3-6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyXTWJYNJDBPETML-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.31
Rot. Bonds6

About 2,6-diamino-4-ethyl-6-oxohexanoic acid

2,6-diamino-4-ethyl-6-oxohexanoic acid (PubChem CID 87815600) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,6-diamino-4-ethyl-6-oxohexanoic acid.

Molecular Properties

Compound Name2,6-diamino-4-ethyl-6-oxohexanoic acid
PubChem CID87815600
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2,6-diamino-4-ethyl-6-oxohexanoic acid
SMILESCCC(CC(N)=O)CC(N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-5(4-7(10)11)3-6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyXTWJYNJDBPETML-UHFFFAOYSA-N
XLogP-0.31
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-ethyl-6,7-dioxooctanoic acid
CID 123366170
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
2-amino-4-ethyl-7-hydroxyheptanoic acid
CID 123400393
bis((2S,3S)-2-amino-3-methylpentanoic acid);(2S)-2,4-diamino-4-oxobutanoic acid
CID 87666554
pentakis(2-aminoacetic acid);bis(2,4-diamino-4-oxobutanoic acid)
CID 18680457
tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 21226082
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
2-aminobutanoic acid;butanediamide
CID 87949418
(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173165930
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 22648435

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-ethyl-6-oxohexanoic acid?
The IUPAC name of 2,6-diamino-4-ethyl-6-oxohexanoic acid (CID 87815600) is 2,6-diamino-4-ethyl-6-oxohexanoic acid.
What is the SMILES notation for 2,6-diamino-4-ethyl-6-oxohexanoic acid?
The canonical SMILES for 2,6-diamino-4-ethyl-6-oxohexanoic acid is CCC(CC(N)=O)CC(N)C(=O)O.
What is the InChIKey of 2,6-diamino-4-ethyl-6-oxohexanoic acid?
The InChIKey is XTWJYNJDBPETML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-5(4-7(10)11)3-6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2,6-diamino-4-ethyl-6-oxohexanoic acid?
2,6-diamino-4-ethyl-6-oxohexanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-ethyl-6-oxohexanoic acid is sourced from PubChem (CID 87815600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).