5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid

C19H22N2O4 — CID 138540718

IUPAC5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CCN(CCO)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C19H22N2O4/c1-13-15(16-4-2-3-5-17(16)20-13)8-9-21(10-11-22)12-14-6-7-18(25-14)19(23)24/h2-7,20,22H,8-12H2,1H3,(H,23,24)
InChIKeyFAQSXLFRJHLKBA-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.80
Rot. Bonds8

About 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid

5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 138540718) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid
PubChem CID138540718
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CCN(CCO)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C19H22N2O4/c1-13-15(16-4-2-3-5-17(16)20-13)8-9-21(10-11-22)12-14-6-7-18(25-14)19(23)24/h2-7,20,22H,8-12H2,1H3,(H,23,24)
InChIKeyFAQSXLFRJHLKBA-UHFFFAOYSA-N
XLogP2.80
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
3-[3-fluoro-4-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxypropanamide
CID 126500489
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
methyl 3-[4-[[[4-(3-methoxy-3-oxoprop-1-enyl)phenyl]methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate
CID 71960369
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone
CID 151323459
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid (CID 138540718) is 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid is Cc1[nH]c2ccccc2c1CCN(CCO)Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is FAQSXLFRJHLKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-15(16-4-2-3-5-17(16)20-13)8-9-21(10-11-22)12-14-6-7-18(25-14)19(23)24/h2-7,20,22H,8-12H2,1H3,(H,23,24).
What are the key properties of 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid?
5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 138540718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).