(E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid

C11H20N2O4 — CID 19834017

IUPAC(E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
SMILESCC(C)(C)OC(=O)NC/C=C/CC(N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h4-5,8H,6-7,12H2,1-3H3,(H,13,16)(H,14,15)/b5-4+
InChIKeyFNGJUTLVUUDESY-SNAWJCMRSA-N
MW244.29 g/mol
LogP0.87
Rot. Bonds5

About (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid

(E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid (PubChem CID 19834017) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
PubChem CID19834017
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid
SMILESCC(C)(C)OC(=O)NC/C=C/CC(N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h4-5,8H,6-7,12H2,1-3H3,(H,13,16)(H,14,15)/b5-4+
InChIKeyFNGJUTLVUUDESY-SNAWJCMRSA-N
XLogP0.87
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-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

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
The IUPAC name of (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid (CID 19834017) is (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
The canonical SMILES for (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid is CC(C)(C)OC(=O)NC/C=C/CC(N)C(=O)O.
What is the InChIKey of (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
The InChIKey is FNGJUTLVUUDESY-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h4-5,8H,6-7,12H2,1-3H3,(H,13,16)(H,14,15)/b5-4+.
What are the key properties of (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid?
(E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoic acid is sourced from PubChem (CID 19834017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).