2-hydroxy-4-(3-methylpentanoylamino)butanoic acid

C10H19NO4 — CID 107832068

IUPAC2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
SMILESCCC(C)CC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-7(2)6-9(13)11-5-4-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWECNOJZMZHFMPQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.37
Rot. Bonds7

About 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid

2-hydroxy-4-(3-methylpentanoylamino)butanoic acid (PubChem CID 107832068) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
PubChem CID107832068
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
SMILESCCC(C)CC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-7(2)6-9(13)11-5-4-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWECNOJZMZHFMPQ-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

4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
(2S)-2-hydroxy-4-(4-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 107840286
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid (CID 107832068) is 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid is CCC(C)CC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid?
The InChIKey is WECNOJZMZHFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-7(2)6-9(13)11-5-4-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid?
2-hydroxy-4-(3-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 2-hydroxy-4-(3-methylpentanoylamino)butanoic acid is sourced from PubChem (CID 107832068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).