4-hydroxy-2-(2-methylpentanoylamino)butanoic acid

C10H19NO4 — CID 61243280

IUPAC4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-7(2)9(13)11-8(5-6-12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyGCTKGDVYWGQFIO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.37
Rot. Bonds7

About 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid

4-hydroxy-2-(2-methylpentanoylamino)butanoic acid (PubChem CID 61243280) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
PubChem CID61243280
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-7(2)9(13)11-8(5-6-12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyGCTKGDVYWGQFIO-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
CID 107822514
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 107825086
2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid?
The IUPAC name of 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid (CID 61243280) is 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid is CCCC(C)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid?
The InChIKey is GCTKGDVYWGQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-4-7(2)9(13)11-8(5-6-12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid?
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylpentanoylamino)butanoic acid is sourced from PubChem (CID 61243280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).