(2R)-2-(7-chloroindol-1-yl)propanoic acid

C11H10ClNO2 — CID 107427806

IUPAC(2R)-2-(7-chloroindol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1ccc2cccc(Cl)c21
InChIInChI=1S/C11H10ClNO2/c1-7(11(14)15)13-6-5-8-3-2-4-9(12)10(8)13/h2-7H,1H3,(H,14,15)/t7-/m1/s1
InChIKeyWLMKEAFURVDIRN-SSDOTTSWSA-N
MW223.66 g/mol
LogP2.94
Rot. Bonds2

About (2R)-2-(7-chloroindol-1-yl)propanoic acid

(2R)-2-(7-chloroindol-1-yl)propanoic acid (PubChem CID 107427806) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (2R)-2-(7-chloroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(7-chloroindol-1-yl)propanoic acid
PubChem CID107427806
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(2R)-2-(7-chloroindol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1ccc2cccc(Cl)c21
InChIInChI=1S/C11H10ClNO2/c1-7(11(14)15)13-6-5-8-3-2-4-9(12)10(8)13/h2-7H,1H3,(H,14,15)/t7-/m1/s1
InChIKeyWLMKEAFURVDIRN-SSDOTTSWSA-N
XLogP2.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(7-chloroindol-1-yl)propanoate
CID 103474207
2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 103475166
2-(7-ethylindol-1-yl)propanoic acid
CID 60735777
2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide
CID 103475259
2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
CID 66487386
2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 66908506
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
2-(5-bromoindol-1-yl)propanoic acid
CID 60756311
1-(1-carboxyethyl)pyrrole-2-carboxylic acid
CID 69469083
6-(7-chloroindol-1-yl)hexan-3-one
CID 106801891
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid
CID 115073490

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-chloroindol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(7-chloroindol-1-yl)propanoic acid (CID 107427806) is (2R)-2-(7-chloroindol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(7-chloroindol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(7-chloroindol-1-yl)propanoic acid is C[C@H](C(=O)O)n1ccc2cccc(Cl)c21.
What is the InChIKey of (2R)-2-(7-chloroindol-1-yl)propanoic acid?
The InChIKey is WLMKEAFURVDIRN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7(11(14)15)13-6-5-8-3-2-4-9(12)10(8)13/h2-7H,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-(7-chloroindol-1-yl)propanoic acid?
(2R)-2-(7-chloroindol-1-yl)propanoic acid has a molecular weight of 223.66 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-chloroindol-1-yl)propanoic acid is sourced from PubChem (CID 107427806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).