2-methyl-2-(2-methylbutanoylamino)pentanoic acid

C11H21NO3 — CID 43618557

IUPAC2-methyl-2-(2-methylbutanoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)C(C)CC)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-7-11(4,10(14)15)12-9(13)8(3)6-2/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyMTJWEYPZIJVGBX-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds6

About 2-methyl-2-(2-methylbutanoylamino)pentanoic acid

2-methyl-2-(2-methylbutanoylamino)pentanoic acid (PubChem CID 43618557) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methyl-2-(2-methylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylbutanoylamino)pentanoic acid
PubChem CID43618557
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methyl-2-(2-methylbutanoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)C(C)CC)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-7-11(4,10(14)15)12-9(13)8(3)6-2/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyMTJWEYPZIJVGBX-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
CID 103309128
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
2-(2-butylsulfanylpropanoylamino)-2-methylpentanoic acid
CID 119192027
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662
2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119192281
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
CID 61162004
2-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43619101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylbutanoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(2-methylbutanoylamino)pentanoic acid (CID 43618557) is 2-methyl-2-(2-methylbutanoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylbutanoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylbutanoylamino)pentanoic acid is CCCC(C)(NC(=O)C(C)CC)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylbutanoylamino)pentanoic acid?
The InChIKey is MTJWEYPZIJVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-11(4,10(14)15)12-9(13)8(3)6-2/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-2-(2-methylbutanoylamino)pentanoic acid?
2-methyl-2-(2-methylbutanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylbutanoylamino)pentanoic acid is sourced from PubChem (CID 43618557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).