5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid

C21H18N2O4 — CID 90652793

IUPAC5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCn1c2ccccc2c2cc(CC(=O)NCc3ccc(C(=O)O)o3)ccc21
InChIInChI=1S/C21H18N2O4/c1-23-17-5-3-2-4-15(17)16-10-13(6-8-18(16)23)11-20(24)22-12-14-7-9-19(27-14)21(25)26/h2-10H,11-12H2,1H3,(H,22,24)(H,25,26)
InChIKeyRAWOBJBXQWIULD-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.48
Rot. Bonds5

About 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 90652793) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID90652793
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCn1c2ccccc2c2cc(CC(=O)NCc3ccc(C(=O)O)o3)ccc21
InChIInChI=1S/C21H18N2O4/c1-23-17-5-3-2-4-15(17)16-10-13(6-8-18(16)23)11-20(24)22-12-14-7-9-19(27-14)21(25)26/h2-10H,11-12H2,1H3,(H,22,24)(H,25,26)
InChIKeyRAWOBJBXQWIULD-UHFFFAOYSA-N
XLogP3.48
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide
CID 163300073
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
5-[[(2-methyl-2-phenylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 79994106
5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 120687787
2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 135891044
5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 120527270
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 122564412

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid (CID 90652793) is 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid is Cn1c2ccccc2c2cc(CC(=O)NCc3ccc(C(=O)O)o3)ccc21.
What is the InChIKey of 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is RAWOBJBXQWIULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-23-17-5-3-2-4-15(17)16-10-13(6-8-18(16)23)11-20(24)22-12-14-7-9-19(27-14)21(25)26/h2-10H,11-12H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 90652793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).