methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate

C11H19NO3 — CID 22868062

IUPACmethyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate
SMILESCC/C=C(\CCC)C(=O)NCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-6-9(7-5-2)11(14)12-8-10(13)15-3/h6H,4-5,7-8H2,1-3H3,(H,12,14)/b9-6+
InChIKeyAZEPCMVBSBZWRH-RMKNXTFCSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds6

About methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate

methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate (PubChem CID 22868062) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate
PubChem CID22868062
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate
SMILESCC/C=C(\CCC)C(=O)NCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-6-9(7-5-2)11(14)12-8-10(13)15-3/h6H,4-5,7-8H2,1-3H3,(H,12,14)/b9-6+
InChIKeyAZEPCMVBSBZWRH-RMKNXTFCSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(cyclobutene-1-carbonylamino)acetate
CID 24802879
methyl (E,2S)-2-acetamido-4-methylhex-4-enoate
CID 101940013
Cyclobutenecarbonyl glycine
CID 129859103
Methyl 2-(cyclohexene-1-carbonylamino)acetate
CID 12190476
methyl (2S)-2-(cyclohexene-1-carbonylamino)propanoate
CID 12190477
methyl (2S)-2-(cyclohexene-1-carbonylamino)-3-methylbutanoate
CID 12190479
methyl (2S)-2-[[(E)-2-propylpent-2-enoyl]amino]propanoate
CID 22868060
Tert-butyl 2-(cyclobutene-1-carbonylamino)acetate
CID 24802881
methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate
CID 24802882
N-(2-methoxyethyl)cyclobutene-1-carboxamide
CID 24802883
Methyl 2-(2-propylpent-2-enoylamino)acetate
CID 53669877
methyl (2S)-2-(2-propylpent-2-enoylamino)propanoate
CID 54573224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate?
The IUPAC name of methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate (CID 22868062) is methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate is CC/C=C(\CCC)C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate?
The InChIKey is AZEPCMVBSBZWRH-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-9(7-5-2)11(14)12-8-10(13)15-3/h6H,4-5,7-8H2,1-3H3,(H,12,14)/b9-6+.
What are the key properties of methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate?
methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate is sourced from PubChem (CID 22868062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).