(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid

C9H17NO4S — CID 106702897

IUPAC(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
SMILESCS(=O)(=O)C1CCCC([C@@H](N)C(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-15(13,14)7-4-2-3-6(5-7)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7?,8-/m1/s1
InChIKeyJQVHCAXSYHCFQC-KAVNDROISA-N
MW235.30 g/mol
LogP0.00
Rot. Bonds3

About (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid

(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid (PubChem CID 106702897) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
PubChem CID106702897
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
SMILESCS(=O)(=O)C1CCCC([C@@H](N)C(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-15(13,14)7-4-2-3-6(5-7)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7?,8-/m1/s1
InChIKeyJQVHCAXSYHCFQC-KAVNDROISA-N
XLogP0.00
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
2-amino-2-(3-tert-butylcyclohexyl)acetic acid
CID 90418156
(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107190081
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516
1-(3-methylsulfonylcyclohexyl)pentane-1,2-diol
CID 103455003
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
2-amino-1-(3-methylsulfonylcyclohexyl)butan-1-one
CID 116583967
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid (CID 106702897) is (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid is CS(=O)(=O)C1CCCC([C@@H](N)C(=O)O)C1.
What is the InChIKey of (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid?
The InChIKey is JQVHCAXSYHCFQC-KAVNDROISA-N. The full InChI is InChI=1S/C9H17NO4S/c1-15(13,14)7-4-2-3-6(5-7)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid?
(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid is sourced from PubChem (CID 106702897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).