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

C12H22N2O4 — CID 78926407

IUPACmethyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NC(C)(C)C)CCO1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)13-10(15)8-14-5-6-18-9(7-14)11(16)17-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyMPVDNMDPXTUBQA-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.23
Rot. Bonds3

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

methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate (PubChem CID 78926407) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate
PubChem CID78926407
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NC(C)(C)C)CCO1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)13-10(15)8-14-5-6-18-9(7-14)11(16)17-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyMPVDNMDPXTUBQA-UHFFFAOYSA-N
XLogP-0.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-oxo-2-(propylamino)ethyl]morpholine-2-carboxylate
CID 78926469
methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926342
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882
methyl 4-[(E)-but-2-enyl]morpholine-2-carboxylate
CID 78926479
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
methyl 4-(2-ethoxyethyl)morpholine-2-carboxylate
CID 78927291
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
CID 78925845
N-(tert-butylcarbamoyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 46673900
methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 78946666

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate (CID 78926407) is methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate is COC(=O)C1CN(CC(=O)NC(C)(C)C)CCO1.
What is the InChIKey of methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate?
The InChIKey is MPVDNMDPXTUBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)13-10(15)8-14-5-6-18-9(7-14)11(16)17-4/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate?
methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate has a molecular weight of 258.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).