3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid

C11H21NO3 — CID 62966244

IUPAC3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
SMILESCCC(CC)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(5-2)12-10(13)6-8(3)7-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyFVTICLSAQBIMJQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds7

About 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid

3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid (PubChem CID 62966244) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
PubChem CID62966244
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
SMILESCCC(CC)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(5-2)12-10(13)6-8(3)7-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyFVTICLSAQBIMJQ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
3-methyl-5-(5-methylhexan-2-ylamino)-5-oxopentanoic acid
CID 62966251
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214
N-hex-5-yn-3-yl-3-methylpentanamide
CID 114876499
3-[ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoic acid
CID 62825847
strontium;hydride;3-methylpentanedioic acid
CID 173490798
3-methyl-5-(3-methylpentan-3-ylamino)-5-oxopentanoic acid
CID 106328220
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid
CID 173182030
5-(3-methylpentanoylamino)hexanoic acid
CID 114873856
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid (CID 62966244) is 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid is CCC(CC)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid?
The InChIKey is FVTICLSAQBIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-9(5-2)12-10(13)6-8(3)7-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid?
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid is sourced from PubChem (CID 62966244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).