2-methyl-5-(pentanoylamino)pentanoic acid

C11H21NO3 — CID 104682493

IUPAC2-methyl-5-(pentanoylamino)pentanoic acid
SMILESCCCCC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-7-10(13)12-8-5-6-9(2)11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIEORMYZOYNAMSI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds8

About 2-methyl-5-(pentanoylamino)pentanoic acid

2-methyl-5-(pentanoylamino)pentanoic acid (PubChem CID 104682493) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methyl-5-(pentanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(pentanoylamino)pentanoic acid
PubChem CID104682493
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methyl-5-(pentanoylamino)pentanoic acid
SMILESCCCCC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-7-10(13)12-8-5-6-9(2)11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIEORMYZOYNAMSI-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tris((methyldisulfanyl)methane);(2S)-2-methyl-6-(tetradecanoylamino)hexanoic acid
CID 161457530
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
(2S)-2-(methylamino)-5-oxo-5-(pentylamino)pentanoic acid
CID 90209237
6-[6-(hexadecanoylamino)hexanoylamino]-2-(methylamino)hexanoic acid
CID 174209801
2-methyl-6-oxodecanoic acid
CID 22217196
5-(butoxycarbonylamino)-2-methylpentanoic acid
CID 87521921
5-(hexylamino)-2-(methylamino)-5-oxopentanoic acid
CID 168992251
(2S)-2-[[2-[[(1S)-1-carboxy-5-(dodecanoylamino)pentyl]amino]-2-oxoacetyl]amino]-6-(dodecanoylamino)hexanoic acid
CID 101258757
6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid
CID 171621768
2-acetamido-5-[[4-[[4-[[4-(butylamino)-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 123522191
N-tetradecylpentanamide
CID 87172595
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pentanoylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(pentanoylamino)pentanoic acid (CID 104682493) is 2-methyl-5-(pentanoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(pentanoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(pentanoylamino)pentanoic acid is CCCCC(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(pentanoylamino)pentanoic acid?
The InChIKey is IEORMYZOYNAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-7-10(13)12-8-5-6-9(2)11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-5-(pentanoylamino)pentanoic acid?
2-methyl-5-(pentanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pentanoylamino)pentanoic acid is sourced from PubChem (CID 104682493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).