2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid

C9H13NO2S — CID 154602976

IUPAC2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
SMILESCC(C)C(N)c1sccc1C(=O)O
InChIInChI=1S/C9H13NO2S/c1-5(2)7(10)8-6(9(11)12)3-4-13-8/h3-5,7H,10H2,1-2H3,(H,11,12)
InChIKeyIXUZLQCDYHMJSS-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.10
Rot. Bonds3

About 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid

2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid (PubChem CID 154602976) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
PubChem CID154602976
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
SMILESCC(C)C(N)c1sccc1C(=O)O
InChIInChI=1S/C9H13NO2S/c1-5(2)7(10)8-6(9(11)12)3-4-13-8/h3-5,7H,10H2,1-2H3,(H,11,12)
InChIKeyIXUZLQCDYHMJSS-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylthiophene-3-carboxamide
CID 69376798
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
2-[(3,5-dimethylphenyl)-hydroxymethyl]thiophene-3-carboxylic acid
CID 107432220
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]thiophene-3-carboxylic acid
CID 107432058
2-[2-(tert-butylamino)-1-hydroxyethyl]thiophene-3-carboxylic acid
CID 107446443
2-(1,2-dihydroxy-3-sulfanylpropyl)thiophene-3-carboxylic acid
CID 170819462
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid
CID 107432097
5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid
CID 55272746
2-aminothiophene-3-carboxylic acid;cyclohexane
CID 22053869
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
CID 130674240

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid (CID 154602976) is 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid is CC(C)C(N)c1sccc1C(=O)O.
What is the InChIKey of 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid?
The InChIKey is IXUZLQCDYHMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-5(2)7(10)8-6(9(11)12)3-4-13-8/h3-5,7H,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid?
2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid has a molecular weight of 199.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 154602976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).