methyl 2-[butyl(prop-2-enoyl)amino]propanoate

C11H19NO3 — CID 134486378

IUPACmethyl 2-[butyl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(CCCC)C(C)C(=O)OC
InChIInChI=1S/C11H19NO3/c1-5-7-8-12(10(13)6-2)9(3)11(14)15-4/h6,9H,2,5,7-8H2,1,3-4H3
InChIKeyXOKJLONWAPOGAE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-[butyl(prop-2-enoyl)amino]propanoate

methyl 2-[butyl(prop-2-enoyl)amino]propanoate (PubChem CID 134486378) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[butyl(prop-2-enoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[butyl(prop-2-enoyl)amino]propanoate
PubChem CID134486378
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[butyl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(CCCC)C(C)C(=O)OC
InChIInChI=1S/C11H19NO3/c1-5-7-8-12(10(13)6-2)9(3)11(14)15-4/h6,9H,2,5,7-8H2,1,3-4H3
InChIKeyXOKJLONWAPOGAE-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[butyl(prop-2-enoyl)amino]propanoate?
The IUPAC name of methyl 2-[butyl(prop-2-enoyl)amino]propanoate (CID 134486378) is methyl 2-[butyl(prop-2-enoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[butyl(prop-2-enoyl)amino]propanoate?
The canonical SMILES for methyl 2-[butyl(prop-2-enoyl)amino]propanoate is C=CC(=O)N(CCCC)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[butyl(prop-2-enoyl)amino]propanoate?
The InChIKey is XOKJLONWAPOGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-7-8-12(10(13)6-2)9(3)11(14)15-4/h6,9H,2,5,7-8H2,1,3-4H3.
What are the key properties of methyl 2-[butyl(prop-2-enoyl)amino]propanoate?
methyl 2-[butyl(prop-2-enoyl)amino]propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butyl(prop-2-enoyl)amino]propanoate is sourced from PubChem (CID 134486378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).