6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate

C12H21NO4 — CID 11096821

IUPAC6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCNC(=O)OC
InChIInChI=1S/C12H21NO4/c1-10(2)11(14)17-9-7-5-4-6-8-13-12(15)16-3/h1,4-9H2,2-3H3,(H,13,15)
InChIKeyDWZYTTAANWSDGW-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.02
Rot. Bonds8

About 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate

6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate (PubChem CID 11096821) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate
PubChem CID11096821
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCNC(=O)OC
InChIInChI=1S/C12H21NO4/c1-10(2)11(14)17-9-7-5-4-6-8-13-12(15)16-3/h1,4-9H2,2-3H3,(H,13,15)
InChIKeyDWZYTTAANWSDGW-UHFFFAOYSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate 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 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate (CID 11096821) is 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCNC(=O)OC.
What is the InChIKey of 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate?
The InChIKey is DWZYTTAANWSDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-10(2)11(14)17-9-7-5-4-6-8-13-12(15)16-3/h1,4-9H2,2-3H3,(H,13,15).
What are the key properties of 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate?
6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate has a molecular weight of 243.30 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxycarbonylamino)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 11096821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).