methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate

C10H17NO3 — CID 130491766

IUPACmethyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCOCC1C
InChIInChI=1S/C10H17NO3/c1-8-7-14-6-4-9(8)11-5-3-10(12)13-2/h3,5,8-9,11H,4,6-7H2,1-2H3/b5-3+
InChIKeyWWUIBVSYFOHLGC-HWKANZROSA-N
MW199.25 g/mol
LogP0.69
Rot. Bonds3

About methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate

methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate (PubChem CID 130491766) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate
PubChem CID130491766
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCOCC1C
InChIInChI=1S/C10H17NO3/c1-8-7-14-6-4-9(8)11-5-3-10(12)13-2/h3,5,8-9,11H,4,6-7H2,1-2H3/b5-3+
InChIKeyWWUIBVSYFOHLGC-HWKANZROSA-N
XLogP0.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[(3-methyloxan-4-yl)amino]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

methyl (E)-3-(3-methylbutan-2-ylamino)prop-2-enoate
CID 103230431
methyl (E)-3-(4-methylpentan-2-ylamino)prop-2-enoate
CID 103237669
methyl (E)-3-(oxan-4-ylamino)prop-2-enoate
CID 103239336
methyl (E)-3-(oxan-3-ylmethylamino)prop-2-enoate
CID 103242265
methyl (E)-3-(2-methylpentan-3-ylamino)prop-2-enoate
CID 103244175
methyl (E)-3-(oxan-4-ylmethylamino)prop-2-enoate
CID 103250929
methyl (E)-3-(4-methoxybutan-2-ylamino)prop-2-enoate
CID 103254877
methyl (E)-3-[(2,2-dimethyloxan-4-yl)amino]prop-2-enoate
CID 103261145
methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate
CID 103264166
methyl (E)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]prop-2-enoate
CID 103265814
methyl (E)-3-[1-(oxolan-3-yl)ethylamino]prop-2-enoate
CID 103268152
methyl (E)-3-[3-(2-methylpropoxy)propylamino]prop-2-enoate
CID 105682187

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate (CID 130491766) is methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate is COC(=O)/C=C/NC1CCOCC1C.
What is the InChIKey of methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate?
The InChIKey is WWUIBVSYFOHLGC-HWKANZROSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8-7-14-6-4-9(8)11-5-3-10(12)13-2/h3,5,8-9,11H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate?
methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(3-methyloxan-4-yl)amino]prop-2-enoate is sourced from PubChem (CID 130491766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).