methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate

C12H22N2O4 — CID 113247741

IUPACmethyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
SMILESCCCCNC(=O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C12H22N2O4/c1-3-4-5-13-11(15)8-14-6-7-18-9-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyUJGBYLWXBIYIOZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.22
Rot. Bonds6

About methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate

methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate (PubChem CID 113247741) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
PubChem CID113247741
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
SMILESCCCCNC(=O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C12H22N2O4/c1-3-4-5-13-11(15)8-14-6-7-18-9-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyUJGBYLWXBIYIOZ-UHFFFAOYSA-N
XLogP-0.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate
CID 115670460
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786436
methyl (3R)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786437
methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 104774499

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate (CID 113247741) is methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate is CCCCNC(=O)CN1CCOCC1C(=O)OC.
What is the InChIKey of methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate?
The InChIKey is UJGBYLWXBIYIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-4-5-13-11(15)8-14-6-7-18-9-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate?
methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate is sourced from PubChem (CID 113247741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).