2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid

C14H14N2O3S — CID 79264069

IUPAC2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H14N2O3S/c1-2-6-16(10-12(17)18)14(19)13-11(5-9-20-13)15-7-3-4-8-15/h2-5,7-9H,1,6,10H2,(H,17,18)
InChIKeyRHBSIPCUWXPOSM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.25
Rot. Bonds6

About 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid

2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 79264069) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
PubChem CID79264069
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H14N2O3S/c1-2-6-16(10-12(17)18)14(19)13-11(5-9-20-13)15-7-3-4-8-15/h2-5,7-9H,1,6,10H2,(H,17,18)
InChIKeyRHBSIPCUWXPOSM-UHFFFAOYSA-N
XLogP2.25
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid (CID 79264069) is 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)c1sccc1-n1cccc1.
What is the InChIKey of 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is RHBSIPCUWXPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-6-16(10-12(17)18)14(19)13-11(5-9-20-13)15-7-3-4-8-15/h2-5,7-9H,1,6,10H2,(H,17,18).
What are the key properties of 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 79264069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).