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

C11H21NO3 — CID 107563339

IUPAC(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)C(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-6-9(11(14)15)12-10(13)8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1
InChIKeyNJORRFDXSACBSG-YGPZHTELSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds6

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

(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid (PubChem CID 107563339) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
PubChem CID107563339
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)C(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-6-9(11(14)15)12-10(13)8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1
InChIKeyNJORRFDXSACBSG-YGPZHTELSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2R)-2,3-dimethylbutanoyl]amino]pentanedioic acid
CID 176727519
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334
3-methyl-2-(2-methylpentanoylamino)butanoic acid
CID 43209765

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid (CID 107563339) is (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid is CCC[C@@H](NC(=O)C(C)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid?
The InChIKey is NJORRFDXSACBSG-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-9(11(14)15)12-10(13)8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid?
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid is sourced from PubChem (CID 107563339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).