2-amino-2-(2-methylthian-2-yl)propanoic acid

C9H17NO2S — CID 18964734

IUPAC2-amino-2-(2-methylthian-2-yl)propanoic acid
SMILESCC1(C(C)(N)C(=O)O)CCCCS1
InChIInChI=1S/C9H17NO2S/c1-8(5-3-4-6-13-8)9(2,10)7(11)12/h3-6,10H2,1-2H3,(H,11,12)
InChIKeyUMIRZXWUVSRQEN-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-2-(2-methylthian-2-yl)propanoic acid

2-amino-2-(2-methylthian-2-yl)propanoic acid (PubChem CID 18964734) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-amino-2-(2-methylthian-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-methylthian-2-yl)propanoic acid
PubChem CID18964734
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-amino-2-(2-methylthian-2-yl)propanoic acid
SMILESCC1(C(C)(N)C(=O)O)CCCCS1
InChIInChI=1S/C9H17NO2S/c1-8(5-3-4-6-13-8)9(2,10)7(11)12/h3-6,10H2,1-2H3,(H,11,12)
InChIKeyUMIRZXWUVSRQEN-UHFFFAOYSA-N
XLogP1.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Amino-3-ethylsulfanyl-3-methyldecanoic acid
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1-Amino-2-methyl-2-methylsulfanylcyclohexane-1-carboxylic acid
CID 20552391
2-Amino-2-cyclohexyl-2-methylsulfanylacetic acid
CID 56980859
(2R)-2-amino-2-(sulfanylmethyl)heptanoic acid
CID 57238115
2-Amino-2-(sulfanylmethyl)heptanoic acid
CID 76497375
2-Amino-2-pentyl-3-sulfanyloctanoic acid
CID 87725979
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylthian-2-yl)propanoic acid?
The IUPAC name of 2-amino-2-(2-methylthian-2-yl)propanoic acid (CID 18964734) is 2-amino-2-(2-methylthian-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(2-methylthian-2-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(2-methylthian-2-yl)propanoic acid is CC1(C(C)(N)C(=O)O)CCCCS1.
What is the InChIKey of 2-amino-2-(2-methylthian-2-yl)propanoic acid?
The InChIKey is UMIRZXWUVSRQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(5-3-4-6-13-8)9(2,10)7(11)12/h3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-(2-methylthian-2-yl)propanoic acid?
2-amino-2-(2-methylthian-2-yl)propanoic acid has a molecular weight of 203.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylthian-2-yl)propanoic acid is sourced from PubChem (CID 18964734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).