2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid

C13H22N2O4 — CID 162423091

IUPAC2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid
SMILESCC(C)C/C=C(\O)N/C(O)=C/CC1CCN1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9(2)3-5-11(16)14-12(17)6-4-10-7-8-15(10)13(18)19/h5-6,9-10,14,16-17H,3-4,7-8H2,1-2H3,(H,18,19)/b11-5-,12-6-
InChIKeyQGQYLGWGKJOTHZ-CBIKUMSCSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds6

About 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid

2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid (PubChem CID 162423091) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid
PubChem CID162423091
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid
SMILESCC(C)C/C=C(\O)N/C(O)=C/CC1CCN1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9(2)3-5-11(16)14-12(17)6-4-10-7-8-15(10)13(18)19/h5-6,9-10,14,16-17H,3-4,7-8H2,1-2H3,(H,18,19)/b11-5-,12-6-
InChIKeyQGQYLGWGKJOTHZ-CBIKUMSCSA-N
XLogP2.56
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid?
The IUPAC name of 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid (CID 162423091) is 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid?
The canonical SMILES for 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid is CC(C)C/C=C(\O)N/C(O)=C/CC1CCN1C(=O)O.
What is the InChIKey of 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid?
The InChIKey is QGQYLGWGKJOTHZ-CBIKUMSCSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)3-5-11(16)14-12(17)6-4-10-7-8-15(10)13(18)19/h5-6,9-10,14,16-17H,3-4,7-8H2,1-2H3,(H,18,19)/b11-5-,12-6-.
What are the key properties of 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid?
2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 162423091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).