ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate

C13H21NO3 — CID 79506559

IUPACethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)C(C)C1CC1
InChIInChI=1S/C13H21NO3/c1-4-8-14(9-12(15)17-5-2)13(16)10(3)11-6-7-11/h4,10-11H,1,5-9H2,2-3H3
InChIKeySAGYYFZUNMJBLE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.61
Rot. Bonds7

About ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate

ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate (PubChem CID 79506559) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
PubChem CID79506559
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)C(C)C1CC1
InChIInChI=1S/C13H21NO3/c1-4-8-14(9-12(15)17-5-2)13(16)10(3)11-6-7-11/h4,10-11H,1,5-9H2,2-3H3
InChIKeySAGYYFZUNMJBLE-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
CID 115681468
ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
CID 78978796
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 115538843
methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79507050
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79275776
ethyl 2-[(1-methylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetate
CID 115538849
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
CID 115539173
ethyl 3-cyclopropylbutanoate
CID 47078610

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate (CID 79506559) is ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)C(C)C1CC1.
What is the InChIKey of ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate?
The InChIKey is SAGYYFZUNMJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-8-14(9-12(15)17-5-2)13(16)10(3)11-6-7-11/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate?
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate has a molecular weight of 239.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 79506559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).