3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid

C10H10ClNO2 — CID 82158513

IUPAC3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC1CC(C(=O)O)c2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO2/c11-5-1-2-6-7(3-5)9(12)4-8(6)10(13)14/h1-3,8-9H,4,12H2,(H,13,14)
InChIKeyZWGOCPVKUNBMCX-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.91
Rot. Bonds1

About 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid

3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 82158513) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID82158513
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC1CC(C(=O)O)c2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO2/c11-5-1-2-6-7(3-5)9(12)4-8(6)10(13)14/h1-3,8-9H,4,12H2,(H,13,14)
InChIKeyZWGOCPVKUNBMCX-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid (CID 82158513) is 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid is NC1CC(C(=O)O)c2ccc(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is ZWGOCPVKUNBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-5-1-2-6-7(3-5)9(12)4-8(6)10(13)14/h1-3,8-9H,4,12H2,(H,13,14).
What are the key properties of 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid?
3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 82158513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).