2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid

C14H14N2O3 — CID 79262806

IUPAC2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H14N2O3/c1-2-7-16(9-13(17)18)14(19)12-8-10-5-3-4-6-11(10)15-12/h2-6,8,15H,1,7,9H2,(H,17,18)
InChIKeyNKWWBXJKPOEGFU-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.88
Rot. Bonds5

About 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid

2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid (PubChem CID 79262806) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid
PubChem CID79262806
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H14N2O3/c1-2-7-16(9-13(17)18)14(19)12-8-10-5-3-4-6-11(10)15-12/h2-6,8,15H,1,7,9H2,(H,17,18)
InChIKeyNKWWBXJKPOEGFU-UHFFFAOYSA-N
XLogP1.88
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid (CID 79262806) is 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid?
The InChIKey is NKWWBXJKPOEGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-7-16(9-13(17)18)14(19)12-8-10-5-3-4-6-11(10)15-12/h2-6,8,15H,1,7,9H2,(H,17,18).
What are the key properties of 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid?
2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79262806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).