methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate

C10H15NO5 — CID 141157786

IUPACmethyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(O)=C(NC(C)=O)C(O)C1
InChIInChI=1S/C10H15NO5/c1-5(12)11-9-7(13)3-6(4-8(9)14)10(15)16-2/h6-7,13-14H,3-4H2,1-2H3,(H,11,12)
InChIKeySQEWKXYJUXUWEW-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.16
Rot. Bonds2

About methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate

methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate (PubChem CID 141157786) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate
PubChem CID141157786
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namemethyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(O)=C(NC(C)=O)C(O)C1
InChIInChI=1S/C10H15NO5/c1-5(12)11-9-7(13)3-6(4-8(9)14)10(15)16-2/h6-7,13-14H,3-4H2,1-2H3,(H,11,12)
InChIKeySQEWKXYJUXUWEW-UHFFFAOYSA-N
XLogP-0.16
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-acetyloxy-3-ethylcyclohex-3-ene-1-carboxylate
CID 71348965
methyl (1S,5S)-5-acetyloxy-3-ethylcyclohex-3-ene-1-carboxylate
CID 11770157
methyl 5-oxo-2,3,3a,4-tetrahydro-1H-pentalene-2-carboxylate
CID 102368825
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
trans-methyl (1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylate
CID 129411840
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate
CID 177449597
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
methyl 3-methylcyclopent-3-ene-1-carboxylate
CID 12732838
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride
CID 68685176
methyl 5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 105441123

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate (CID 141157786) is methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate is COC(=O)C1CC(O)=C(NC(C)=O)C(O)C1.
What is the InChIKey of methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate?
The InChIKey is SQEWKXYJUXUWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-5(12)11-9-7(13)3-6(4-8(9)14)10(15)16-2/h6-7,13-14H,3-4H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate?
methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate has a molecular weight of 229.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-3,5-dihydroxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 141157786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).