5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid

C15H15NO3 — CID 104607977

IUPAC5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H15NO3/c17-15(18)12-7-14(19-9-12)8-16-13-5-4-10-2-1-3-11(10)6-13/h4-7,9,16H,1-3,8H2,(H,17,18)
InChIKeyGRXLUIZLXQAJNZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.08
Rot. Bonds4

About 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid

5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 104607977) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid
PubChem CID104607977
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H15NO3/c17-15(18)12-7-14(19-9-12)8-16-13-5-4-10-2-1-3-11(10)6-13/h4-7,9,16H,1-3,8H2,(H,17,18)
InChIKeyGRXLUIZLXQAJNZ-UHFFFAOYSA-N
XLogP3.08
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-methylanilino)methyl]furan-3-carboxylic acid
CID 113432410
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233603
5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid
CID 104608670
5-[[4-(dimethylamino)anilino]methyl]furan-3-carboxylic acid
CID 104608239
5-[(4-methoxyanilino)methyl]furan-3-carboxylic acid
CID 113432435
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid
CID 104608682
5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
CID 104608673
5-[(4-methoxy-3-nitroanilino)methyl]furan-3-carboxylic acid
CID 104609314
5-[[3-(1,2,4-triazol-4-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608356
5-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]furan-3-carboxylic acid
CID 113391004
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid (CID 104607977) is 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is GRXLUIZLXQAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)12-7-14(19-9-12)8-16-13-5-4-10-2-1-3-11(10)6-13/h4-7,9,16H,1-3,8H2,(H,17,18).
What are the key properties of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid?
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).