1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid

C9H17NO2S — CID 79588183

IUPAC1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCSCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C9H17NO2S/c1-13-6-4-7-3-2-5-9(7,10)8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyPOZIJCXXWSEHJA-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.32
Rot. Bonds4

About 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid

1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid (PubChem CID 79588183) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
PubChem CID79588183
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCSCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C9H17NO2S/c1-13-6-4-7-3-2-5-9(7,10)8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyPOZIJCXXWSEHJA-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588358
1-amino-2-[2-(3-hydroxybutan-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 107771724
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid
CID 79582690
1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79564018
CID 153378305
CID 153378305
1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79570983
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683
1-amino-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylic acid
CID 79588132
1-amino-2-[2-(3-bromophenyl)sulfanylethyl]cyclopentane-1-carboxylic acid
CID 79583326
1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid
CID 79571531
1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 103289705

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid (CID 79588183) is 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid is CSCCC1CCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
The InChIKey is POZIJCXXWSEHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13-6-4-7-3-2-5-9(7,10)8(11)12/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid?
1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid has a molecular weight of 203.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79588183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).