5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid

C9H13NO2S — CID 55272746

IUPAC5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid
SMILESCC(C)C(N)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H13NO2S/c1-5(2)8(10)6-3-4-7(13-6)9(11)12/h3-5,8H,10H2,1-2H3,(H,11,12)
InChIKeyWHFBTCQOQLWPPN-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.10
Rot. Bonds3

About 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid

5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid (PubChem CID 55272746) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid
PubChem CID55272746
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid
SMILESCC(C)C(N)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H13NO2S/c1-5(2)8(10)6-3-4-7(13-6)9(11)12/h3-5,8H,10H2,1-2H3,(H,11,12)
InChIKeyWHFBTCQOQLWPPN-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

5-[(1S)-1-aminoethyl]thiophene-2-carboxylic acid
CID 92763509
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334
5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid
CID 55270481
5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid
CID 130634208
5-(2,2-dimethyl-1-sulfanylpropyl)thiophene-2-carboxylic acid
CID 87537719
N-[5-[(1S)-1-amino-2-methylpropyl]thiophen-2-yl]acetamide
CID 130605613
5-(1-amino-2-cyanoethyl)thiophene-2-carboxylic acid
CID 55269530
5-(2-methylpropanoyl)thiophene-2-carboxylic acid
CID 59462743
5-benzhydrylthiophene-2-carboxylic acid
CID 59775040
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)thiophene-2-carboxylic acid
CID 171865696
5-[(1R)-1-(tert-butylsulfinylamino)ethyl]thiophene-2-carboxylic acid
CID 67395550

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid (CID 55272746) is 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid is CC(C)C(N)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid?
The InChIKey is WHFBTCQOQLWPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-5(2)8(10)6-3-4-7(13-6)9(11)12/h3-5,8H,10H2,1-2H3,(H,11,12).
What are the key properties of 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid?
5-(1-amino-2-methylpropyl)thiophene-2-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 5-(1-amino-2-methylpropyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55272746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).