5-(2-methylbutanoylamino)-4-oxopentanoic acid

C10H17NO4 — CID 59623900

IUPAC5-(2-methylbutanoylamino)-4-oxopentanoic acid
SMILESCCC(C)C(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-7(2)10(15)11-6-8(12)4-5-9(13)14/h7H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyOLOMCJIUWJTHPX-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.58
Rot. Bonds7

About 5-(2-methylbutanoylamino)-4-oxopentanoic acid

5-(2-methylbutanoylamino)-4-oxopentanoic acid (PubChem CID 59623900) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-(2-methylbutanoylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-methylbutanoylamino)-4-oxopentanoic acid
PubChem CID59623900
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-(2-methylbutanoylamino)-4-oxopentanoic acid
SMILESCCC(C)C(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-7(2)10(15)11-6-8(12)4-5-9(13)14/h7H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyOLOMCJIUWJTHPX-UHFFFAOYSA-N
XLogP0.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
5-(3-carboxypropanoylamino)-4-oxopentanoic acid
CID 102302142
5-methyl-4-oxoheptanoic acid
CID 21365481
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
CID 62664546
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
CID 163453905

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutanoylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(2-methylbutanoylamino)-4-oxopentanoic acid (CID 59623900) is 5-(2-methylbutanoylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(2-methylbutanoylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(2-methylbutanoylamino)-4-oxopentanoic acid is CCC(C)C(=O)NCC(=O)CCC(=O)O.
What is the InChIKey of 5-(2-methylbutanoylamino)-4-oxopentanoic acid?
The InChIKey is OLOMCJIUWJTHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-7(2)10(15)11-6-8(12)4-5-9(13)14/h7H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 5-(2-methylbutanoylamino)-4-oxopentanoic acid?
5-(2-methylbutanoylamino)-4-oxopentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutanoylamino)-4-oxopentanoic acid is sourced from PubChem (CID 59623900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).