methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate

C11H21NO3 — CID 106401667

IUPACmethyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
SMILESC=CCCOCCNCC(C)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-7-15-8-6-12-9-10(2)11(13)14-3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyCVWOFTFFATVEQG-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.98
Rot. Bonds9

About methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate

methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate (PubChem CID 106401667) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
PubChem CID106401667
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
SMILESC=CCCOCCNCC(C)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-7-15-8-6-12-9-10(2)11(13)14-3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyCVWOFTFFATVEQG-UHFFFAOYSA-N
XLogP0.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401798
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
methyl 4-[(2-but-3-enoxyethylamino)methyl]benzoate
CID 103923899
2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 106401726
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine
CID 106401321

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate (CID 106401667) is methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate is C=CCCOCCNCC(C)C(=O)OC.
What is the InChIKey of methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate?
The InChIKey is CVWOFTFFATVEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-7-15-8-6-12-9-10(2)11(13)14-3/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate?
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate has a molecular weight of 215.29 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate is sourced from PubChem (CID 106401667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).