methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate

C10H17NO3 — CID 134486327

IUPACmethyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(C(C)C)C(C)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-6-9(12)11(7(2)3)8(4)10(13)14-5/h6-8H,1H2,2-5H3
InChIKeyKANIVIKZBYXKML-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds4

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

methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate (PubChem CID 134486327) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate
PubChem CID134486327
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(C(C)C)C(C)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-6-9(12)11(7(2)3)8(4)10(13)14-5/h6-8H,1H2,2-5H3
InChIKeyKANIVIKZBYXKML-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
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-[propan-2-yl(prop-2-enoyl)amino]propanoate?
The IUPAC name of methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate (CID 134486327) is methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate?
The canonical SMILES for methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate is C=CC(=O)N(C(C)C)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate?
The InChIKey is KANIVIKZBYXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-9(12)11(7(2)3)8(4)10(13)14-5/h6-8H,1H2,2-5H3.
What are the key properties of methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate?
methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate has a molecular weight of 199.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate is sourced from PubChem (CID 134486327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).