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

C15H15NO3 — CID 104608081

IUPAC5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C15H15NO3/c17-15(18)11-7-12(19-9-11)8-16-14-6-5-10-3-1-2-4-13(10)14/h1-4,7,9,14,16H,5-6,8H2,(H,17,18)
InChIKeyHCRHAJKYVNTTDV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.75
Rot. Bonds4

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

5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 104608081) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid
PubChem CID104608081
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C15H15NO3/c17-15(18)11-7-12(19-9-11)8-16-14-6-5-10-3-1-2-4-13(10)14/h1-4,7,9,14,16H,5-6,8H2,(H,17,18)
InChIKeyHCRHAJKYVNTTDV-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
benzoic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53379225
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
methyl 5-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]furan-3-carboxylate
CID 104585759
4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103239487
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181885
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 20890238
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid (CID 104608081) is 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNC2CCc3ccccc32)c1.
What is the InChIKey of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is HCRHAJKYVNTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)11-7-12(19-9-11)8-16-14-6-5-10-3-1-2-4-13(10)14/h1-4,7,9,14,16H,5-6,8H2,(H,17,18).
What are the key properties of 5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid?
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.75, 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-1-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).