1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate

C9H15NO4 — CID 151131649

IUPAC1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCCN)CC1
InChIInChI=1S/C9H15NO4/c1-2-13-7(11)9(3-4-9)8(12)14-6-5-10/h2-6,10H2,1H3
InChIKeyMUIQFKYYLFWRPR-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.17
Rot. Bonds5

About 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate

1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate (PubChem CID 151131649) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Name1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate
PubChem CID151131649
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCCN)CC1
InChIInChI=1S/C9H15NO4/c1-2-13-7(11)9(3-4-9)8(12)14-6-5-10/h2-6,10H2,1H3
InChIKeyMUIQFKYYLFWRPR-UHFFFAOYSA-N
XLogP-0.17
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 86000209
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
dipropyl oxane-4,4-dicarboxylate
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diethyl (4E)-cyclotetradec-4-ene-1,1-dicarboxylate
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CID 69141030

Frequently Asked Questions

What is the IUPAC name of 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate?
The IUPAC name of 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate (CID 151131649) is 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate?
The canonical SMILES for 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCCN)CC1.
What is the InChIKey of 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate?
The InChIKey is MUIQFKYYLFWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-13-7(11)9(3-4-9)8(12)14-6-5-10/h2-6,10H2,1H3.
What are the key properties of 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate?
1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 151131649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).