2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid

C12H12N2O4 — CID 110835789

IUPAC2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C12H12N2O4/c1-14(6-11(16)17)12(18)10-5-7-4-8(15)2-3-9(7)13-10/h2-5,13,15H,6H2,1H3,(H,16,17)
InChIKeyRFSLLAMBKXTAFD-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.03
Rot. Bonds3

About 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid

2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid (PubChem CID 110835789) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
PubChem CID110835789
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C12H12N2O4/c1-14(6-11(16)17)12(18)10-5-7-4-8(15)2-3-9(7)13-10/h2-5,13,15H,6H2,1H3,(H,16,17)
InChIKeyRFSLLAMBKXTAFD-UHFFFAOYSA-N
XLogP1.03
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid (CID 110835789) is 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid?
The InChIKey is RFSLLAMBKXTAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14(6-11(16)17)12(18)10-5-7-4-8(15)2-3-9(7)13-10/h2-5,13,15H,6H2,1H3,(H,16,17).
What are the key properties of 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid?
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110835789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).