3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid

C11H21NO3 — CID 62963901

IUPAC3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
SMILESCCC(C)CNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-8(2)7-12-10(13)5-9(3)6-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyJSKUJAHVOLYNAQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds7

About 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid

3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid (PubChem CID 62963901) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
PubChem CID62963901
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
SMILESCCC(C)CNC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-8(2)7-12-10(13)5-9(3)6-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyJSKUJAHVOLYNAQ-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
ethane;N-(2-methylbutyl)propanamide
CID 177054062
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 62965063
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
3-(2-methylbutylcarbamoylamino)butanoic acid
CID 62691851
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid (CID 62963901) is 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid is CCC(C)CNC(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid?
The InChIKey is JSKUJAHVOLYNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-8(2)7-12-10(13)5-9(3)6-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid?
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid is sourced from PubChem (CID 62963901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).