ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate

C14H23NO4 — CID 123412216

IUPACethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate
SMILESCCOC(=O)C(NC=O)C1CC(C)OC(C2CC2)C1
InChIInChI=1S/C14H23NO4/c1-3-18-14(17)13(15-8-16)11-6-9(2)19-12(7-11)10-4-5-10/h8-13H,3-7H2,1-2H3,(H,15,16)
InChIKeySBZUJBNSIRZMCS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.26
Rot. Bonds6

About ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate

ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate (PubChem CID 123412216) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate
PubChem CID123412216
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate
SMILESCCOC(=O)C(NC=O)C1CC(C)OC(C2CC2)C1
InChIInChI=1S/C14H23NO4/c1-3-18-14(17)13(15-8-16)11-6-9(2)19-12(7-11)10-4-5-10/h8-13H,3-7H2,1-2H3,(H,15,16)
InChIKeySBZUJBNSIRZMCS-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate?
The IUPAC name of ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate (CID 123412216) is ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate.
What is the SMILES notation for ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate?
The canonical SMILES for ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate is CCOC(=O)C(NC=O)C1CC(C)OC(C2CC2)C1.
What is the InChIKey of ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate?
The InChIKey is SBZUJBNSIRZMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-18-14(17)13(15-8-16)11-6-9(2)19-12(7-11)10-4-5-10/h8-13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate?
ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate has a molecular weight of 269.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate is sourced from PubChem (CID 123412216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).