3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid

C11H19NO4 — CID 130350499

IUPAC3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid
SMILESC/C=C\C(OC)C(C)C(=O)NCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-4-5-9(16-3)8(2)11(15)12-7-6-10(13)14/h4-5,8-9H,6-7H2,1-3H3,(H,12,15)(H,13,14)/b5-4-
InChIKeyVVXXCOWTMUMXLX-PLNGDYQASA-N
MW229.28 g/mol
LogP0.80
Rot. Bonds7

About 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid

3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid (PubChem CID 130350499) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid
PubChem CID130350499
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid
SMILESC/C=C\C(OC)C(C)C(=O)NCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-4-5-9(16-3)8(2)11(15)12-7-6-10(13)14/h4-5,8-9H,6-7H2,1-3H3,(H,12,15)(H,13,14)/b5-4-
InChIKeyVVXXCOWTMUMXLX-PLNGDYQASA-N
XLogP0.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid?
The IUPAC name of 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid (CID 130350499) is 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid is C/C=C\C(OC)C(C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid?
The InChIKey is VVXXCOWTMUMXLX-PLNGDYQASA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-5-9(16-3)8(2)11(15)12-7-6-10(13)14/h4-5,8-9H,6-7H2,1-3H3,(H,12,15)(H,13,14)/b5-4-.
What are the key properties of 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid?
3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-3-methoxy-2-methylhex-4-enoyl]amino]propanoic acid is sourced from PubChem (CID 130350499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).