5-amino-4-hydroxy-2-methylhexanoic acid

C7H15NO3 — CID 58435610

IUPAC5-amino-4-hydroxy-2-methylhexanoic acid
SMILESCC(CC(O)C(C)N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(7(10)11)3-6(9)5(2)8/h4-6,9H,3,8H2,1-2H3,(H,10,11)
InChIKeyZWHHYNIWWFLPER-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.19
Rot. Bonds4

About 5-amino-4-hydroxy-2-methylhexanoic acid

5-amino-4-hydroxy-2-methylhexanoic acid (PubChem CID 58435610) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methylhexanoic acid.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methylhexanoic acid
PubChem CID58435610
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name5-amino-4-hydroxy-2-methylhexanoic acid
SMILESCC(CC(O)C(C)N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(7(10)11)3-6(9)5(2)8/h4-6,9H,3,8H2,1-2H3,(H,10,11)
InChIKeyZWHHYNIWWFLPER-UHFFFAOYSA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methylhexanoic acid?
The IUPAC name of 5-amino-4-hydroxy-2-methylhexanoic acid (CID 58435610) is 5-amino-4-hydroxy-2-methylhexanoic acid.
What is the SMILES notation for 5-amino-4-hydroxy-2-methylhexanoic acid?
The canonical SMILES for 5-amino-4-hydroxy-2-methylhexanoic acid is CC(CC(O)C(C)N)C(=O)O.
What is the InChIKey of 5-amino-4-hydroxy-2-methylhexanoic acid?
The InChIKey is ZWHHYNIWWFLPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(7(10)11)3-6(9)5(2)8/h4-6,9H,3,8H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-4-hydroxy-2-methylhexanoic acid?
5-amino-4-hydroxy-2-methylhexanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-methylhexanoic acid is sourced from PubChem (CID 58435610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).