(E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid

C9H17NO3 — CID 169196228

IUPAC(E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid
SMILESC/C(=C\CCC(=O)O)C(N)C(C)O
InChIInChI=1S/C9H17NO3/c1-6(9(10)7(2)11)4-3-5-8(12)13/h4,7,9,11H,3,5,10H2,1-2H3,(H,12,13)/b6-4+
InChIKeyZJYILRLVSWFFJA-GQCTYLIASA-N
MW187.24 g/mol
LogP0.51
Rot. Bonds5

About (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid

(E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid (PubChem CID 169196228) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid.

Molecular Properties

Compound Name(E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid
PubChem CID169196228
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid
SMILESC/C(=C\CCC(=O)O)C(N)C(C)O
InChIInChI=1S/C9H17NO3/c1-6(9(10)7(2)11)4-3-5-8(12)13/h4,7,9,11H,3,5,10H2,1-2H3,(H,12,13)/b6-4+
InChIKeyZJYILRLVSWFFJA-GQCTYLIASA-N
XLogP0.51
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-dimethoxy-5-methylhex-4-enoic acid
CID 56632214
6,7-dimethyloct-5-enoic acid
CID 162716838
(E)-5-methylhept-4-enoic acid
CID 83694352
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
1-aminoethanol;butanoic acid
CID 173051358
2-aminoacetic acid;2-amino-3-hydroxybutanamide
CID 18421386
(Z)-7-hydroxy-5-methylhept-4-enoic acid
CID 175085361
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
(E)-6-ethoxy-5-methyl-6-oxohex-4-enoic acid
CID 10679113
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130

Frequently Asked Questions

What is the IUPAC name of (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid?
The IUPAC name of (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid (CID 169196228) is (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid.
What is the SMILES notation for (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid?
The canonical SMILES for (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid is C/C(=C\CCC(=O)O)C(N)C(C)O.
What is the InChIKey of (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid?
The InChIKey is ZJYILRLVSWFFJA-GQCTYLIASA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(9(10)7(2)11)4-3-5-8(12)13/h4,7,9,11H,3,5,10H2,1-2H3,(H,12,13)/b6-4+.
What are the key properties of (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid?
(E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-amino-7-hydroxy-5-methyloct-4-enoic acid is sourced from PubChem (CID 169196228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).