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

C11H21NO3 — CID 103952227

IUPACmethyl 3-(2-but-3-enoxyethylamino)butanoate
SMILESC=CCCOCCNC(C)CC(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-7-15-8-6-12-10(2)9-11(13)14-3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyXTNUCQVZULKNNF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds9

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

methyl 3-(2-but-3-enoxyethylamino)butanoate (PubChem CID 103952227) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-(2-but-3-enoxyethylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-but-3-enoxyethylamino)butanoate
PubChem CID103952227
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-(2-but-3-enoxyethylamino)butanoate
SMILESC=CCCOCCNC(C)CC(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-7-15-8-6-12-10(2)9-11(13)14-3/h4,10,12H,1,5-9H2,2-3H3
InChIKeyXTNUCQVZULKNNF-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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

ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
methyl 3-(2-ethoxyethylamino)butanoate
CID 43590969
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
3-(2-but-3-enoxyethylamino)butan-2-ol
CID 106401424
2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
CID 103852838
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 106401726
methyl 3-methylhept-6-enoate
CID 19865945
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-but-3-enoxyethylamino)butanoate?
The IUPAC name of methyl 3-(2-but-3-enoxyethylamino)butanoate (CID 103952227) is methyl 3-(2-but-3-enoxyethylamino)butanoate.
What is the SMILES notation for methyl 3-(2-but-3-enoxyethylamino)butanoate?
The canonical SMILES for methyl 3-(2-but-3-enoxyethylamino)butanoate is C=CCCOCCNC(C)CC(=O)OC.
What is the InChIKey of methyl 3-(2-but-3-enoxyethylamino)butanoate?
The InChIKey is XTNUCQVZULKNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-7-15-8-6-12-10(2)9-11(13)14-3/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of methyl 3-(2-but-3-enoxyethylamino)butanoate?
methyl 3-(2-but-3-enoxyethylamino)butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.12, 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)butanoate is sourced from PubChem (CID 103952227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).