2-amino-4-ethyl-6,7-dioxooctanoic acid

C10H17NO4 — CID 123366170

IUPAC2-amino-4-ethyl-6,7-dioxooctanoic acid
SMILESCCC(CC(=O)C(C)=O)CC(N)C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-7(4-8(11)10(14)15)5-9(13)6(2)12/h7-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyWCZXIKSWBZFQFK-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.36
Rot. Bonds7

About 2-amino-4-ethyl-6,7-dioxooctanoic acid

2-amino-4-ethyl-6,7-dioxooctanoic acid (PubChem CID 123366170) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-4-ethyl-6,7-dioxooctanoic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-6,7-dioxooctanoic acid
PubChem CID123366170
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-amino-4-ethyl-6,7-dioxooctanoic acid
SMILESCCC(CC(=O)C(C)=O)CC(N)C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-7(4-8(11)10(14)15)5-9(13)6(2)12/h7-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyWCZXIKSWBZFQFK-UHFFFAOYSA-N
XLogP0.36
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-4-ethyl-6-oxohexanoic acid
CID 87815600
2-amino-4-ethyl-7-hydroxyheptanoic acid
CID 123400393
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
4-acetamido-2-aminohexanoic acid
CID 139345088
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
(2S)-2-aminobutanedioic acid;2-oxopropanoic acid
CID 87851778
2-aminobutanoic acid;ethane
CID 90764297
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid
CID 173198300
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
2-amino-4-[(1-amino-1-carboxypentan-3-yl)disulfanyl]hexanoic acid
CID 175487973

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-6,7-dioxooctanoic acid?
The IUPAC name of 2-amino-4-ethyl-6,7-dioxooctanoic acid (CID 123366170) is 2-amino-4-ethyl-6,7-dioxooctanoic acid.
What is the SMILES notation for 2-amino-4-ethyl-6,7-dioxooctanoic acid?
The canonical SMILES for 2-amino-4-ethyl-6,7-dioxooctanoic acid is CCC(CC(=O)C(C)=O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethyl-6,7-dioxooctanoic acid?
The InChIKey is WCZXIKSWBZFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-7(4-8(11)10(14)15)5-9(13)6(2)12/h7-8H,3-5,11H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-4-ethyl-6,7-dioxooctanoic acid?
2-amino-4-ethyl-6,7-dioxooctanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-6,7-dioxooctanoic acid is sourced from PubChem (CID 123366170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).