ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate

C15H17NO4 — CID 134397176

IUPACethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(NC(=O)C1CC1)C(=O)c1ccccc1
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)12(16-14(18)11-8-9-11)13(17)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,18)
InChIKeyPWENKASAGLJKNU-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.33
Rot. Bonds6

About ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate

ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate (PubChem CID 134397176) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate
PubChem CID134397176
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(NC(=O)C1CC1)C(=O)c1ccccc1
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)12(16-14(18)11-8-9-11)13(17)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,18)
InChIKeyPWENKASAGLJKNU-UHFFFAOYSA-N
XLogP1.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[1-ethoxy-3-(4-methylphenyl)-1,3-dioxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 122489316
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
diethyl 3,4-diacetyl-2,5-dibenzamidohex-3-enedioate
CID 138392491
ethyl 2-(2-adamantyl)-3-oxo-3-phenylpropanoate
CID 23649476
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 2-cyano-3-oxo-3-phenylpropanoate
CID 3613418
ethyl 3-cyclohexyl-3-oxo-2-(phenylmethoxycarbonylamino)propanoate
CID 102486430
ethyl (3S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-3-phenylpropanoate
CID 10131981
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate?
The IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate (CID 134397176) is ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate is CCOC(=O)C(NC(=O)C1CC1)C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate?
The InChIKey is PWENKASAGLJKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-20-15(19)12(16-14(18)11-8-9-11)13(17)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,16,18).
What are the key properties of ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate?
ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate has a molecular weight of 275.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropanecarbonylamino)-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 134397176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).