methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate

C10H17N3O5 — CID 104775016

IUPACmethyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H17N3O5/c1-6(8(14)12-10(11)16)13-3-4-18-5-7(13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H3,11,12,14,16)
InChIKeyKJDQDCDQWLSRCZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.56
Rot. Bonds3

About methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate

methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate (PubChem CID 104775016) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate
PubChem CID104775016
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Namemethyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H17N3O5/c1-6(8(14)12-10(11)16)13-3-4-18-5-7(13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H3,11,12,14,16)
InChIKeyKJDQDCDQWLSRCZ-UHFFFAOYSA-N
XLogP-1.56
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
2-(3-methylmorpholin-4-yl)propanehydrazide
CID 63573861
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide
CID 83096216
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)morpholine-3-carboxamide
CID 83095756
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate (CID 104775016) is methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(C)C(=O)NC(N)=O.
What is the InChIKey of methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate?
The InChIKey is KJDQDCDQWLSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-6(8(14)12-10(11)16)13-3-4-18-5-7(13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H3,11,12,14,16).
What are the key properties of methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate?
methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate is sourced from PubChem (CID 104775016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).