methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate

C10H14N4O4 — CID 113251792

IUPACmethyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)Cn1ccnn1
InChIInChI=1S/C10H14N4O4/c1-17-10(16)8-7-18-5-4-14(8)9(15)6-13-3-2-11-12-13/h2-3,8H,4-7H2,1H3
InChIKeyMPBKNJZSTRADQS-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.32
Rot. Bonds3

About methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate

methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate (PubChem CID 113251792) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
PubChem CID113251792
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namemethyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)Cn1ccnn1
InChIInChI=1S/C10H14N4O4/c1-17-10(16)8-7-18-5-4-14(8)9(15)6-13-3-2-11-12-13/h2-3,8H,4-7H2,1H3
InChIKeyMPBKNJZSTRADQS-UHFFFAOYSA-N
XLogP-1.32
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 112632463
methyl 4-[2-(3-nitropyrazol-1-yl)acetyl]morpholine-3-carboxylate
CID 115670046
methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
CID 104774871
methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
CID 115669932
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
CID 115670168
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate
CID 104775330
methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
CID 104774429
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 129351762

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate (CID 113251792) is methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)Cn1ccnn1.
What is the InChIKey of methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate?
The InChIKey is MPBKNJZSTRADQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-17-10(16)8-7-18-5-4-14(8)9(15)6-13-3-2-11-12-13/h2-3,8H,4-7H2,1H3.
What are the key properties of methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate?
methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate has a molecular weight of 254.25 g/mol, XLogP of -1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate is sourced from PubChem (CID 113251792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).