2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid

C15H23NO2S — CID 82887623

IUPAC2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
SMILESC[C@@H](NCc1ccc(CC(=O)O)s1)C1CCCCC1
InChIInChI=1S/C15H23NO2S/c1-11(12-5-3-2-4-6-12)16-10-14-8-7-13(19-14)9-15(17)18/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyNQBUGRLMHOAKBB-LLVKDONJSA-N
MW281.42 g/mol
LogP3.43
Rot. Bonds6

About 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid

2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82887623) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
PubChem CID82887623
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
SMILESC[C@@H](NCc1ccc(CC(=O)O)s1)C1CCCCC1
InChIInChI=1S/C15H23NO2S/c1-11(12-5-3-2-4-6-12)16-10-14-8-7-13(19-14)9-15(17)18/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyNQBUGRLMHOAKBB-LLVKDONJSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid with MolForge

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Related Compounds

methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
2-[4-[[[(1R)-1-cycloheptylethyl]amino]methyl]phenyl]acetic acid
CID 103257924
(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103257519
2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-2-yl]acetic acid
CID 82893950
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
2-[5-[[(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894323
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid (CID 82887623) is 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid is C[C@@H](NCc1ccc(CC(=O)O)s1)C1CCCCC1.
What is the InChIKey of 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is NQBUGRLMHOAKBB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(12-5-3-2-4-6-12)16-10-14-8-7-13(19-14)9-15(17)18/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 281.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82887623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).