2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid

C11H11ClN2O2 — CID 174486241

IUPAC2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid
SMILESCc1cc2c(N)c(Cl)ccc2n1CC(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-6-4-7-9(14(6)5-10(15)16)3-2-8(12)11(7)13/h2-4H,5,13H2,1H3,(H,15,16)
InChIKeyJZQRRAPTIGSSCT-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.27
Rot. Bonds2

About 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid

2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid (PubChem CID 174486241) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid
PubChem CID174486241
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid
SMILESCc1cc2c(N)c(Cl)ccc2n1CC(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-6-4-7-9(14(6)5-10(15)16)3-2-8(12)11(7)13/h2-4H,5,13H2,1H3,(H,15,16)
InChIKeyJZQRRAPTIGSSCT-UHFFFAOYSA-N
XLogP2.27
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid (CID 174486241) is 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid is Cc1cc2c(N)c(Cl)ccc2n1CC(=O)O.
What is the InChIKey of 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid?
The InChIKey is JZQRRAPTIGSSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6-4-7-9(14(6)5-10(15)16)3-2-8(12)11(7)13/h2-4H,5,13H2,1H3,(H,15,16).
What are the key properties of 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid?
2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid has a molecular weight of 238.67 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-chloro-2-methylindol-1-yl)acetic acid is sourced from PubChem (CID 174486241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).