2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate

C13H21NO5 — CID 118257851

IUPAC2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC1(C(C)C)CCOC1
InChIInChI=1S/C13H21NO5/c1-4-11(15)18-8-6-14-12(16)19-13(10(2)3)5-7-17-9-13/h4,10H,1,5-9H2,2-3H3,(H,14,16)
InChIKeyMIRLCEUIVSFNHM-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.26
Rot. Bonds6

About 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate

2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate (PubChem CID 118257851) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
PubChem CID118257851
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC1(C(C)C)CCOC1
InChIInChI=1S/C13H21NO5/c1-4-11(15)18-8-6-14-12(16)19-13(10(2)3)5-7-17-9-13/h4,10H,1,5-9H2,2-3H3,(H,14,16)
InChIKeyMIRLCEUIVSFNHM-UHFFFAOYSA-N
XLogP1.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-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

Related Compounds

2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 118257853
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
CID 91094626
2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
CID 87421458
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308
2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 58252677
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl 2-methylbutanoate
CID 58435878

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate (CID 118257851) is 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OC1(C(C)C)CCOC1.
What is the InChIKey of 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is MIRLCEUIVSFNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-4-11(15)18-8-6-14-12(16)19-13(10(2)3)5-7-17-9-13/h4,10H,1,5-9H2,2-3H3,(H,14,16).
What are the key properties of 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 271.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 118257851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).