methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate

C14H17NO4 — CID 59692369

IUPACmethyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)=O)CC1(CCO)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-12(18)14(11(15)17)9-13(14,7-8-16)10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3,(H2,15,17)
InChIKeyIANNNWPUBKIBFK-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.36
Rot. Bonds5

About methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate

methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate (PubChem CID 59692369) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate
PubChem CID59692369
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)=O)CC1(CCO)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-12(18)14(11(15)17)9-13(14,7-8-16)10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3,(H2,15,17)
InChIKeyIANNNWPUBKIBFK-UHFFFAOYSA-N
XLogP0.36
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate (CID 59692369) is methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate is COC(=O)C1(C(N)=O)CC1(CCO)c1ccccc1.
What is the InChIKey of methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate?
The InChIKey is IANNNWPUBKIBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-12(18)14(11(15)17)9-13(14,7-8-16)10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3,(H2,15,17).
What are the key properties of methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate?
methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 59692369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).