2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid

C14H19NO5 — CID 84812091

IUPAC2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCc2cc(CC(=O)O)oc2C1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-5-4-9-6-10(7-12(16)17)19-11(9)8-15/h6H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyAECFYIUTSLWRSR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.20
Rot. Bonds2

About 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid

2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid (PubChem CID 84812091) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid
PubChem CID84812091
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCc2cc(CC(=O)O)oc2C1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-5-4-9-6-10(7-12(16)17)19-11(9)8-15/h6H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyAECFYIUTSLWRSR-UHFFFAOYSA-N
XLogP2.20
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 11357887
2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid
CID 84807873
tert-butyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84569944
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 19381592
tert-butyl 7-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67006732
tert-butyl 8-ethyl-6-propyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 123611071
tert-butyl 7-(difluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166172529
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl (3Z)-3-(1-hydroxypropylidene)-4-oxopiperidine-1-carboxylate
CID 164822270
tert-butyl 7-(cyclopropylmethylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 103773145
tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;hydrochloride
CID 53487766
tert-butyl 7-amino-6-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 170078043

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid (CID 84812091) is 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid is CC(C)(C)OC(=O)N1CCc2cc(CC(=O)O)oc2C1.
What is the InChIKey of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid?
The InChIKey is AECFYIUTSLWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-5-4-9-6-10(7-12(16)17)19-11(9)8-15/h6H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid?
2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid is sourced from PubChem (CID 84812091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).