(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid

C11H10N2O2 — CID 5280990

IUPAC(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESN/C(=C\c1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-
InChIKeyHXAJMKJPBQFASJ-UITAMQMPSA-N
MW202.21 g/mol
LogP1.55
Rot. Bonds2

About (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid

(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid (PubChem CID 5280990) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
PubChem CID5280990
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESN/C(=C\c1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-
InChIKeyHXAJMKJPBQFASJ-UITAMQMPSA-N
XLogP1.55
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid (CID 5280990) is (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid is N/C(=C\c1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid?
The InChIKey is HXAJMKJPBQFASJ-UITAMQMPSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-.
What are the key properties of (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid?
(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 5280990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).