4-amino-2,3-dihydro-1H-indene-2-carboxylic acid

C10H11NO2 — CID 18330772

IUPAC4-amino-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNc1cccc2c1CC(C(=O)O)C2
InChIInChI=1S/C10H11NO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5,11H2,(H,12,13)
InChIKeyXATRQLHAJSSSDN-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.07
Rot. Bonds1

About 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid

4-amino-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 18330772) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID18330772
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-amino-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNc1cccc2c1CC(C(=O)O)C2
InChIInChI=1S/C10H11NO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5,11H2,(H,12,13)
InChIKeyXATRQLHAJSSSDN-UHFFFAOYSA-N
XLogP1.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Aminophenyl)acetic acid hydrochloride
CID 45263726
(3-Aminophenyl)acetic acid
CID 571807
4-(2-Aminophenyl)butanoic acid
CID 417330
6-Amino-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 119848
Methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 53350286
2-(3-Aminophenyl)propanoic acid hydrochloride
CID 66932928
Benzeneacetic acid, 3-amino-2-methyl-, methyl ester
CID 67613932
Methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate hydrochloride
CID 71463971
2-(m-Aminobenzyl)butyric acid
CID 83986
3-Amino-alpha-methylbenzeneacetic acid
CID 10844766
3-(2-Aminophenyl)propanoic acid
CID 12470836
5-(o-Aminophenyl)valeric acid
CID 20209007

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid (CID 18330772) is 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid is Nc1cccc2c1CC(C(=O)O)C2.
What is the InChIKey of 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is XATRQLHAJSSSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5,11H2,(H,12,13).
What are the key properties of 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
4-amino-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 18330772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).