2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid

C14H23NO6 — CID 115534040

IUPAC2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCOC(C(=O)OC)C1)C(=O)O
InChIInChI=1S/C14H23NO6/c1-4-14(5-2,13(18)19)8-11(16)15-6-7-21-10(9-15)12(17)20-3/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyYNXAQCVZRDQOCB-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.67
Rot. Bonds6

About 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid

2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid (PubChem CID 115534040) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
PubChem CID115534040
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCOC(C(=O)OC)C1)C(=O)O
InChIInChI=1S/C14H23NO6/c1-4-14(5-2,13(18)19)8-11(16)15-6-7-21-10(9-15)12(17)20-3/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyYNXAQCVZRDQOCB-UHFFFAOYSA-N
XLogP0.67
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-(5-bromopentanoyl)morpholine-2-carboxylate
CID 107910433
methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate
CID 103165176
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate
CID 78927150
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid (CID 115534040) is 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid is CCC(CC)(CC(=O)N1CCOC(C(=O)OC)C1)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid?
The InChIKey is YNXAQCVZRDQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-4-14(5-2,13(18)19)8-11(16)15-6-7-21-10(9-15)12(17)20-3/h10H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid?
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid has a molecular weight of 301.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid is sourced from PubChem (CID 115534040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).