methyl 4-heptanoylmorpholine-2-carboxylate

C13H23NO4 — CID 78926830

IUPACmethyl 4-heptanoylmorpholine-2-carboxylate
SMILESCCCCCCC(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C13H23NO4/c1-3-4-5-6-7-12(15)14-8-9-18-11(10-14)13(16)17-2/h11H,3-10H2,1-2H3
InChIKeyOGAASJXCVFGNPV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.36
Rot. Bonds6

About methyl 4-heptanoylmorpholine-2-carboxylate

methyl 4-heptanoylmorpholine-2-carboxylate (PubChem CID 78926830) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-heptanoylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-heptanoylmorpholine-2-carboxylate
PubChem CID78926830
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 4-heptanoylmorpholine-2-carboxylate
SMILESCCCCCCC(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C13H23NO4/c1-3-4-5-6-7-12(15)14-8-9-18-11(10-14)13(16)17-2/h11H,3-10H2,1-2H3
InChIKeyOGAASJXCVFGNPV-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(5-bromopentanoyl)morpholine-2-carboxylate
CID 107910433
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate
CID 103165176
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280

Frequently Asked Questions

What is the IUPAC name of methyl 4-heptanoylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-heptanoylmorpholine-2-carboxylate (CID 78926830) is methyl 4-heptanoylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-heptanoylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-heptanoylmorpholine-2-carboxylate is CCCCCCC(=O)N1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-heptanoylmorpholine-2-carboxylate?
The InChIKey is OGAASJXCVFGNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-4-5-6-7-12(15)14-8-9-18-11(10-14)13(16)17-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 4-heptanoylmorpholine-2-carboxylate?
methyl 4-heptanoylmorpholine-2-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-heptanoylmorpholine-2-carboxylate is sourced from PubChem (CID 78926830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).