methyl 3-[butyl(prop-2-enoyl)amino]propanoate

C11H19NO3 — CID 134486283

IUPACmethyl 3-[butyl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(CCCC)CCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-6-8-12(10(13)5-2)9-7-11(14)15-3/h5H,2,4,6-9H2,1,3H3
InChIKeyABPNBWLUGJTSMH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds7

About methyl 3-[butyl(prop-2-enoyl)amino]propanoate

methyl 3-[butyl(prop-2-enoyl)amino]propanoate (PubChem CID 134486283) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-[butyl(prop-2-enoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[butyl(prop-2-enoyl)amino]propanoate
PubChem CID134486283
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-[butyl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(CCCC)CCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-6-8-12(10(13)5-2)9-7-11(14)15-3/h5H,2,4,6-9H2,1,3H3
InChIKeyABPNBWLUGJTSMH-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
2-[(3-methoxy-3-oxopropyl)-prop-2-enoylamino]acetic acid
CID 89333212
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate
CID 59029711
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486343
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
pentyl 2-[pentyl(prop-2-enoyl)amino]acetate
CID 146324502
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(prop-2-enoyl)amino]propanoate?
The IUPAC name of methyl 3-[butyl(prop-2-enoyl)amino]propanoate (CID 134486283) is methyl 3-[butyl(prop-2-enoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[butyl(prop-2-enoyl)amino]propanoate?
The canonical SMILES for methyl 3-[butyl(prop-2-enoyl)amino]propanoate is C=CC(=O)N(CCCC)CCC(=O)OC.
What is the InChIKey of methyl 3-[butyl(prop-2-enoyl)amino]propanoate?
The InChIKey is ABPNBWLUGJTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-8-12(10(13)5-2)9-7-11(14)15-3/h5H,2,4,6-9H2,1,3H3.
What are the key properties of methyl 3-[butyl(prop-2-enoyl)amino]propanoate?
methyl 3-[butyl(prop-2-enoyl)amino]propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(prop-2-enoyl)amino]propanoate is sourced from PubChem (CID 134486283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).