ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate

C13H23NO4 — CID 114826513

IUPACethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1COC(C)C1)C(C)C
InChIInChI=1S/C13H23NO4/c1-5-17-12(15)7-14(9(2)3)13(16)11-6-10(4)18-8-11/h9-11H,5-8H2,1-4H3
InChIKeyKBYLZLRFFGUMPN-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.21
Rot. Bonds5

About ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 114826513) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID114826513
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1COC(C)C1)C(C)C
InChIInChI=1S/C13H23NO4/c1-5-17-12(15)7-14(9(2)3)13(16)11-6-10(4)18-8-11/h9-11H,5-8H2,1-4H3
InChIKeyKBYLZLRFFGUMPN-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate (CID 114826513) is ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)C1COC(C)C1)C(C)C.
What is the InChIKey of ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is KBYLZLRFFGUMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-17-12(15)7-14(9(2)3)13(16)11-6-10(4)18-8-11/h9-11H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 257.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 114826513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).