5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid

C12H17NO3S — CID 103248527

IUPAC5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCOC1CCCC1NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H17NO3S/c1-16-10-4-2-3-9(10)13-7-8-5-6-11(17-8)12(14)15/h5-6,9-10,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyBWYMERCPSKMMEI-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.10
Rot. Bonds5

About 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103248527) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103248527
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCOC1CCCC1NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H17NO3S/c1-16-10-4-2-3-9(10)13-7-8-5-6-11(17-8)12(14)15/h5-6,9-10,13H,2-4,7H2,1H3,(H,14,15)
InChIKeyBWYMERCPSKMMEI-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

5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103254766
3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248534
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 102835320
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
5-[[(4-hydroxycyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106137091
5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 114009348
2-methoxy-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732649
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 20890238
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62087491

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid (CID 103248527) is 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid is COC1CCCC1NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is BWYMERCPSKMMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-10-4-2-3-9(10)13-7-8-5-6-11(17-8)12(14)15/h5-6,9-10,13H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(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 5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103248527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).