methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate

C14H14N2O5 — CID 163307577

IUPACmethyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)nc1
InChIInChI=1S/C14H14N2O5/c1-20-13(18)8-2-3-11(15-4-8)12(17)16-5-9-7-21-14(19)10(9)6-16/h2-4,9-10H,5-7H2,1H3/t9-,10-/m1/s1
InChIKeyHZCUFZWVAMTKAI-NXEZZACHSA-N
MW290.28 g/mol
LogP0.11
Rot. Bonds2

About methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate

methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate (PubChem CID 163307577) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
PubChem CID163307577
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)nc1
InChIInChI=1S/C14H14N2O5/c1-20-13(18)8-2-3-11(15-4-8)12(17)16-5-9-7-21-14(19)10(9)6-16/h2-4,9-10H,5-7H2,1H3/t9-,10-/m1/s1
InChIKeyHZCUFZWVAMTKAI-NXEZZACHSA-N
XLogP0.11
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
CID 177042378
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
methyl 6-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 3771364
methyl 5-[3-[ethyl-(6-methoxycarbonylpyridine-3-carbonyl)amino]azetidine-1-carbonyl]pyridine-2-carboxylate
CID 167978165
methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 4586707
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3777676
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
methyl 6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-3-carboxylate
CID 164700162
methyl 4-(3-methoxyazetidine-1-carbonyl)benzoate
CID 91755368

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate (CID 163307577) is methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)nc1.
What is the InChIKey of methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate?
The InChIKey is HZCUFZWVAMTKAI-NXEZZACHSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-13(18)8-2-3-11(15-4-8)12(17)16-5-9-7-21-14(19)10(9)6-16/h2-4,9-10H,5-7H2,1H3/t9-,10-/m1/s1.
What are the key properties of methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate?
methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 163307577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).