2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid

C11H9ClN2O3 — CID 11436686

IUPAC2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C11H9ClN2O3/c12-7-1-2-8-6(3-7)4-9(14-8)11(17)13-5-10(15)16/h1-4,14H,5H2,(H,13,17)(H,15,16)
InChIKeyRNCPSSIKDRJNNI-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.64
Rot. Bonds3

About 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid

2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid (PubChem CID 11436686) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid
PubChem CID11436686
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C11H9ClN2O3/c12-7-1-2-8-6(3-7)4-9(14-8)11(17)13-5-10(15)16/h1-4,14H,5H2,(H,13,17)(H,15,16)
InChIKeyRNCPSSIKDRJNNI-UHFFFAOYSA-N
XLogP1.64
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid (CID 11436686) is 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid?
The InChIKey is RNCPSSIKDRJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-7-1-2-8-6(3-7)4-9(14-8)11(17)13-5-10(15)16/h1-4,14H,5H2,(H,13,17)(H,15,16).
What are the key properties of 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid?
2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid has a molecular weight of 252.66 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1H-indole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 11436686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).