2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid

C9H11NO3S — CID 18073129

IUPAC2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NC(C)C(=O)O)s1
InChIInChI=1S/C9H11NO3S/c1-5-3-4-7(14-5)8(11)10-6(2)9(12)13/h3-4,6H,1-2H3,(H,10,11)(H,12,13)
InChIKeyWPEBRXZHDWSQBU-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.26
Rot. Bonds3

About 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid

2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 18073129) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID18073129
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NC(C)C(=O)O)s1
InChIInChI=1S/C9H11NO3S/c1-5-3-4-7(14-5)8(11)10-6(2)9(12)13/h3-4,6H,1-2H3,(H,10,11)(H,12,13)
InChIKeyWPEBRXZHDWSQBU-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid (CID 18073129) is 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid is Cc1ccc(C(=O)NC(C)C(=O)O)s1.
What is the InChIKey of 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is WPEBRXZHDWSQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5-3-4-7(14-5)8(11)10-6(2)9(12)13/h3-4,6H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 213.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 18073129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).