5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid

C15H19NO3S — CID 122111013

IUPAC5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(CC1CC2CCC1C2)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H19NO3S/c17-14(7-11-6-9-1-2-10(11)5-9)16-8-12-3-4-13(20-12)15(18)19/h3-4,9-11H,1-2,5-8H2,(H,16,17)(H,18,19)
InChIKeyFCVZSVKVLVFVQQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.89
Rot. Bonds5

About 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122111013) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122111013
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(CC1CC2CCC1C2)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H19NO3S/c17-14(7-11-6-9-1-2-10(11)5-9)16-8-12-3-4-13(20-12)15(18)19/h3-4,9-11H,1-2,5-8H2,(H,16,17)(H,18,19)
InChIKeyFCVZSVKVLVFVQQ-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
5-[[[2-(oxan-4-yl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110815
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
3-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 166224786
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81091312
[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174268
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid (CID 122111013) is 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid is O=C(CC1CC2CCC1C2)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is FCVZSVKVLVFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-14(7-11-6-9-1-2-10(11)5-9)16-8-12-3-4-13(20-12)15(18)19/h3-4,9-11H,1-2,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122111013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).