3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid

C9H11NO3S — CID 173207395

IUPAC3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCCC(=O)O)cs1
InChIInChI=1S/C9H11NO3S/c1-6-4-7(5-14-6)9(13)10-3-2-8(11)12/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyZPYSQUHXALUXAD-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.26
Rot. Bonds4

About 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid

3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid (PubChem CID 173207395) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid
PubChem CID173207395
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCCC(=O)O)cs1
InChIInChI=1S/C9H11NO3S/c1-6-4-7(5-14-6)9(13)10-3-2-8(11)12/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyZPYSQUHXALUXAD-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid (CID 173207395) is 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NCCC(=O)O)cs1.
What is the InChIKey of 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid?
The InChIKey is ZPYSQUHXALUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6-4-7(5-14-6)9(13)10-3-2-8(11)12/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid?
3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid has a molecular weight of 213.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophene-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 173207395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).