ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate

C14H17NO3 — CID 110471120

IUPACethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
SMILESCCOC(=O)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-2-18-13(17)12(16)15-10-14(8-9-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16)
InChIKeyUFCSWURTCDCMET-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.40
Rot. Bonds4

About ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate

ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate (PubChem CID 110471120) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
PubChem CID110471120
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
SMILESCCOC(=O)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-2-18-13(17)12(16)15-10-14(8-9-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16)
InChIKeyUFCSWURTCDCMET-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
ethyl 4-[(1-phenylcyclopentyl)methylcarbamoylamino]butanoate
CID 112806288
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
CID 110481846
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145585
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 5-methylpyrazine-2-carboxylate
CID 30583280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate (CID 110471120) is ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate is CCOC(=O)C(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate?
The InChIKey is UFCSWURTCDCMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-13(17)12(16)15-10-14(8-9-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16).
What are the key properties of ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate?
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate has a molecular weight of 247.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate is sourced from PubChem (CID 110471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).