trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid

C8H15NO2S — CID 154707137

IUPACtrans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid
SMILESCS[C@@H]1CCCC[C@@]1(N)C(=O)O
InChIInChI=1S/C8H15NO2S/c1-12-6-4-2-3-5-8(6,9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m1/s1
InChIKeyDRRATJHKAYIYLK-SVRRBLITSA-N
MW189.28 g/mol
LogP1.07
Rot. Bonds2

About trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid

trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid (PubChem CID 154707137) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid
PubChem CID154707137
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nametrans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid
SMILESCS[C@@H]1CCCC[C@@]1(N)C(=O)O
InChIInChI=1S/C8H15NO2S/c1-12-6-4-2-3-5-8(6,9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m1/s1
InChIKeyDRRATJHKAYIYLK-SVRRBLITSA-N
XLogP1.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-2-methyl-2-methylsulfanylcyclohexane-1-carboxylic acid
CID 20552391
2-Amino-2-cyclohexyl-2-methylsulfanylacetic acid
CID 56980859
1-Amino-2-sulfanylcyclohexane-1-carboxylic acid
CID 57202292
1-Amino-2-(2-hydroxyethylsulfanyl)-2-methylcyclohexane-1-carboxylic acid
CID 70570091
2-Amino-2-cyclohexyl-4-methylsulfanylbutanoic acid
CID 140382207
(2S)-2-amino-2-(2-butylsulfanylethyl)hexanoic acid
CID 140408264
2-Amino-2-(2-methylsulfanylethyl)decanoic acid
CID 141247502
2-Amino-4-ethyl-2-(2-methylsulfanylethyl)hexanoic acid
CID 141774046
2,6-Diamino-2,6-bis(2-methylsulfanylethyl)heptanedioic acid
CID 144452345
2-Amino-2-(2-methylsulfanylethyl)hexanoic acid
CID 144733112
2-Amino-2-(2-methylsulfanylethyl)dodecanoic acid
CID 145653495
2-Amino-2-(1-methylsulfanylbutan-2-yl)octanoic acid
CID 145701788

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid (CID 154707137) is trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid is CS[C@@H]1CCCC[C@@]1(N)C(=O)O.
What is the InChIKey of trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid?
The InChIKey is DRRATJHKAYIYLK-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12-6-4-2-3-5-8(6,9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m1/s1.
What are the key properties of trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid?
trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid has a molecular weight of 189.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 154707137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).