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

C12H23N3O4 — CID 104774499

IUPACmethyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(=O)N(C)CCCN
InChIInChI=1S/C12H23N3O4/c1-14(5-3-4-13)11(16)8-15-6-7-19-9-10(15)12(17)18-2/h10H,3-9,13H2,1-2H3
InChIKeyCBWIXNVHPXXEOX-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.33
Rot. Bonds6

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

methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate (PubChem CID 104774499) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
PubChem CID104774499
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Namemethyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(=O)N(C)CCCN
InChIInChI=1S/C12H23N3O4/c1-14(5-3-4-13)11(16)8-15-6-7-19-9-10(15)12(17)18-2/h10H,3-9,13H2,1-2H3
InChIKeyCBWIXNVHPXXEOX-UHFFFAOYSA-N
XLogP-1.33
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
CID 83106514
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
CID 115670530
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
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-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate (CID 104774499) is methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate is COC(=O)C1COCCN1CC(=O)N(C)CCCN.
What is the InChIKey of methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate?
The InChIKey is CBWIXNVHPXXEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-14(5-3-4-13)11(16)8-15-6-7-19-9-10(15)12(17)18-2/h10H,3-9,13H2,1-2H3.
What are the key properties of methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate?
methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate has a molecular weight of 273.33 g/mol, XLogP of -1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate is sourced from PubChem (CID 104774499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).