3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid

C12H17NO3S — CID 103248534

IUPAC3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCOC1CCCC1NCc1ccsc1C(=O)O
InChIInChI=1S/C12H17NO3S/c1-16-10-4-2-3-9(10)13-7-8-5-6-17-11(8)12(14)15/h5-6,9-10,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyWRFYVTSMZNNRMY-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.10
Rot. Bonds5

About 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid

3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103248534) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103248534
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCOC1CCCC1NCc1ccsc1C(=O)O
InChIInChI=1S/C12H17NO3S/c1-16-10-4-2-3-9(10)13-7-8-5-6-17-11(8)12(14)15/h5-6,9-10,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyWRFYVTSMZNNRMY-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 66385192
5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248527
3-[(cyclohexylamino)methyl]thiophene-2-carboxylic acid
CID 103230831
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103244644
3-[(cyclohexylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103237843
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62087491
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid (CID 103248534) is 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid is COC1CCCC1NCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is WRFYVTSMZNNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-10-4-2-3-9(10)13-7-8-5-6-17-11(8)12(14)15/h5-6,9-10,13H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103248534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).