5-amino-2-ethyl-4-methyl-5-oxopentanoic acid

C8H15NO3 — CID 58612932

IUPAC5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
SMILESCCC(CC(C)C(N)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-6(8(11)12)4-5(2)7(9)10/h5-6H,3-4H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyWIWPZQMSRGNNIB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.61
Rot. Bonds5

About 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid

5-amino-2-ethyl-4-methyl-5-oxopentanoic acid (PubChem CID 58612932) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
PubChem CID58612932
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
SMILESCCC(CC(C)C(N)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-6(8(11)12)4-5(2)7(9)10/h5-6H,3-4H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyWIWPZQMSRGNNIB-UHFFFAOYSA-N
XLogP0.61
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
4-carbamoyl-6-carboxy-2-methyloctanoate
CID 176624097
4-carbamoyl-2-methylhexanoic acid
CID 20783257
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927
2-ethyl-4-fluoropentanoic acid
CID 142907671
(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
methane;2-methylbutanamide
CID 158835184

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid (CID 58612932) is 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid is CCC(CC(C)C(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid?
The InChIKey is WIWPZQMSRGNNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-6(8(11)12)4-5(2)7(9)10/h5-6H,3-4H2,1-2H3,(H2,9,10)(H,11,12).
What are the key properties of 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid?
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 58612932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).