ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate

C13H23NO5 — CID 54896300

IUPACethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)OCC)C(C)C
InChIInChI=1S/C13H23NO5/c1-5-18-12(16)8-7-11(15)14(10(3)4)9-13(17)19-6-2/h10H,5-9H2,1-4H3
InChIKeyOAVRZGZACJFTCV-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.13
Rot. Bonds8

About ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate

ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate (PubChem CID 54896300) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate
PubChem CID54896300
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nameethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)OCC)C(C)C
InChIInChI=1S/C13H23NO5/c1-5-18-12(16)8-7-11(15)14(10(3)4)9-13(17)19-6-2/h10H,5-9H2,1-4H3
InChIKeyOAVRZGZACJFTCV-UHFFFAOYSA-N
XLogP1.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 79913
CID 79913
CID 660883
CID 660883
CID 82404
CID 82404
CID 14438681
CID 14438681
CID 889401
CID 889401
CID 347845
CID 347845
CID 25799418
CID 25799418
CID 9550559
CID 9550559
CID 94881346
CID 94881346
CID 87222043
CID 87222043
CID 294206
CID 294206
CID 10754860
CID 10754860

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate (CID 54896300) is ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)OCC)C(C)C.
What is the InChIKey of ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate?
The InChIKey is OAVRZGZACJFTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-18-12(16)8-7-11(15)14(10(3)4)9-13(17)19-6-2/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate?
ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate has a molecular weight of 273.33 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-4-oxobutanoate is sourced from PubChem (CID 54896300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).