ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate

C14H26N2O6 — CID 54457555

IUPACethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate
SMILESCCOC(=O)CNC(=O)N(CC(C)C)CC(O)C(=O)OCC
InChIInChI=1S/C14H26N2O6/c1-5-21-12(18)7-15-14(20)16(8-10(3)4)9-11(17)13(19)22-6-2/h10-11,17H,5-9H2,1-4H3,(H,15,20)
InChIKeyWZHBXDBCRPFTGJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.14
Rot. Bonds9

About ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate

ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate (PubChem CID 54457555) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate
PubChem CID54457555
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Nameethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate
SMILESCCOC(=O)CNC(=O)N(CC(C)C)CC(O)C(=O)OCC
InChIInChI=1S/C14H26N2O6/c1-5-21-12(18)7-15-14(20)16(8-10(3)4)9-11(17)13(19)22-6-2/h10-11,17H,5-9H2,1-4H3,(H,15,20)
InChIKeyWZHBXDBCRPFTGJ-UHFFFAOYSA-N
XLogP0.14
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate?
The IUPAC name of ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate (CID 54457555) is ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate?
The canonical SMILES for ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate is CCOC(=O)CNC(=O)N(CC(C)C)CC(O)C(=O)OCC.
What is the InChIKey of ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate?
The InChIKey is WZHBXDBCRPFTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-5-21-12(18)7-15-14(20)16(8-10(3)4)9-11(17)13(19)22-6-2/h10-11,17H,5-9H2,1-4H3,(H,15,20).
What are the key properties of ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate?
ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate has a molecular weight of 318.37 g/mol, XLogP of 0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl-(2-methylpropyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 54457555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).