methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate

C12H22N2O4 — CID 115752681

IUPACmethyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(=O)N(C)C(C)C
InChIInChI=1S/C12H22N2O4/c1-9(2)13(3)11(15)7-14-5-6-18-8-10(14)12(16)17-4/h9-10H,5-8H2,1-4H3
InChIKeyLJZZWRVZGHUPOB-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.27
Rot. Bonds4

About methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate

methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate (PubChem CID 115752681) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
PubChem CID115752681
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(=O)N(C)C(C)C
InChIInChI=1S/C12H22N2O4/c1-9(2)13(3)11(15)7-14-5-6-18-8-10(14)12(16)17-4/h9-10H,5-8H2,1-4H3
InChIKeyLJZZWRVZGHUPOB-UHFFFAOYSA-N
XLogP-0.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583
methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 104774499
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
CID 115670530
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
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-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate
CID 104774976
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate (CID 115752681) is methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate is COC(=O)C1COCCN1CC(=O)N(C)C(C)C.
What is the InChIKey of methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate?
The InChIKey is LJZZWRVZGHUPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)13(3)11(15)7-14-5-6-18-8-10(14)12(16)17-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate?
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate is sourced from PubChem (CID 115752681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).