2-(3,3-dimethylbutanoylamino)pentanoic acid

C11H21NO3 — CID 43631047

IUPAC2-(3,3-dimethylbutanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-6-8(10(14)15)12-9(13)7-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyZWRWZEABAFVFFQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds5

About 2-(3,3-dimethylbutanoylamino)pentanoic acid

2-(3,3-dimethylbutanoylamino)pentanoic acid (PubChem CID 43631047) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutanoylamino)pentanoic acid
PubChem CID43631047
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(3,3-dimethylbutanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-6-8(10(14)15)12-9(13)7-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyZWRWZEABAFVFFQ-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2S)-2-(3,3-dimethylbutanoylamino)-3-methylsulfanylpropanoic acid
CID 87077809
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 107564514
(2S)-2-(3,3-dimethylbutanoylamino)-6-(propan-2-ylamino)hexanoic acid
CID 134175354
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
CID 107564391
(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
CID 107562837
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutanoylamino)pentanoic acid?
The IUPAC name of 2-(3,3-dimethylbutanoylamino)pentanoic acid (CID 43631047) is 2-(3,3-dimethylbutanoylamino)pentanoic acid.
What is the SMILES notation for 2-(3,3-dimethylbutanoylamino)pentanoic acid?
The canonical SMILES for 2-(3,3-dimethylbutanoylamino)pentanoic acid is CCCC(NC(=O)CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutanoylamino)pentanoic acid?
The InChIKey is ZWRWZEABAFVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-8(10(14)15)12-9(13)7-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3,3-dimethylbutanoylamino)pentanoic acid?
2-(3,3-dimethylbutanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutanoylamino)pentanoic acid is sourced from PubChem (CID 43631047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).