2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid

C11H11ClN2O2 — CID 83898209

IUPAC2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid
SMILESCn1ccc2cc(C(N)C(=O)O)cc(Cl)c21
InChIInChI=1S/C11H11ClN2O2/c1-14-3-2-6-4-7(9(13)11(15)16)5-8(12)10(6)14/h2-5,9H,13H2,1H3,(H,15,16)
InChIKeyNKIQXHVVXWRMGJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid

2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid (PubChem CID 83898209) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid
PubChem CID83898209
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid
SMILESCn1ccc2cc(C(N)C(=O)O)cc(Cl)c21
InChIInChI=1S/C11H11ClN2O2/c1-14-3-2-6-4-7(9(13)11(15)16)5-8(12)10(6)14/h2-5,9H,13H2,1H3,(H,15,16)
InChIKeyNKIQXHVVXWRMGJ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid (CID 83898209) is 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid is Cn1ccc2cc(C(N)C(=O)O)cc(Cl)c21.
What is the InChIKey of 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid?
The InChIKey is NKIQXHVVXWRMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-14-3-2-6-4-7(9(13)11(15)16)5-8(12)10(6)14/h2-5,9H,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid?
2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid has a molecular weight of 238.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-chloro-1-methylindol-5-yl)acetic acid is sourced from PubChem (CID 83898209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).