2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate

C13H23NO3 — CID 134486343

IUPAC2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)CCC(=O)OCC(C)C
InChIInChI=1S/C13H23NO3/c1-5-8-14(12(15)6-2)9-7-13(16)17-10-11(3)4/h6,11H,2,5,7-10H2,1,3-4H3
InChIKeyALFZTXGUAMUZOH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.00
Rot. Bonds8

About 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate

2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate (PubChem CID 134486343) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate.

Molecular Properties

Compound Name2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
PubChem CID134486343
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)CCC(=O)OCC(C)C
InChIInChI=1S/C13H23NO3/c1-5-8-14(12(15)6-2)9-7-13(16)17-10-11(3)4/h6,11H,2,5,7-10H2,1,3-4H3
InChIKeyALFZTXGUAMUZOH-UHFFFAOYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.00
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

butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 161029299
hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
2-methylpropyl (E)-non-5-enoate
CID 58356868
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
2-methylpropyl 6-(dihexylamino)-6-oxohexanoate
CID 91705306
1-O-(2-methylpropyl) 10-O-pent-4-en-2-yl decanedioate
CID 91729142
CID 140502794
CID 140502794

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The IUPAC name of 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate (CID 134486343) is 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate.
What is the SMILES notation for 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The canonical SMILES for 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate is C=CC(=O)N(CCC)CCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The InChIKey is ALFZTXGUAMUZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-8-14(12(15)6-2)9-7-13(16)17-10-11(3)4/h6,11H,2,5,7-10H2,1,3-4H3.
What are the key properties of 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate?
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate has a molecular weight of 241.33 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate is sourced from PubChem (CID 134486343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).