4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid

C14H17NO5 — CID 117447611

IUPAC4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid
SMILESNC(CCC(=O)O)c1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C14H17NO5/c15-9(1-2-10(16)17)11-7-3-5-20-14(7)12(18)8-4-6-19-13(8)11/h9,18H,1-6,15H2,(H,16,17)
InChIKeyDPELUXGDRCKVSP-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid

4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid (PubChem CID 117447611) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid
PubChem CID117447611
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid
SMILESNC(CCC(=O)O)c1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C14H17NO5/c15-9(1-2-10(16)17)11-7-3-5-20-14(7)12(18)8-4-6-19-13(8)11/h9,18H,1-6,15H2,(H,16,17)
InChIKeyDPELUXGDRCKVSP-UHFFFAOYSA-N
XLogP1.13
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid with MolForge

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Related Compounds

3-amino-2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117416727
2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
2-amino-2-(5-hydroxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
CID 117447616
4-amino-4-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)butanoic acid
CID 117350314
4-amino-4-(7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)butanoic acid
CID 117421363
8-(2-aminopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117342172
4-amino-4-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)butanoic acid
CID 117431935
4-amino-4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)butanoic acid
CID 104541970
8-(2-hydroxyethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117317683
4-amino-4-(9-formyl-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)butanoic acid
CID 117447612
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid?
The IUPAC name of 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid (CID 117447611) is 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid is NC(CCC(=O)O)c1c2c(c(O)c3c1OCC3)OCC2.
What is the InChIKey of 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid?
The InChIKey is DPELUXGDRCKVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c15-9(1-2-10(16)17)11-7-3-5-20-14(7)12(18)8-4-6-19-13(8)11/h9,18H,1-6,15H2,(H,16,17).
What are the key properties of 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid?
4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid is sourced from PubChem (CID 117447611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).