7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid

C9H10N2O2 — CID 112712190

IUPAC7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid
SMILESNC1=CC=CC2C(C(=O)O)=CNC12
InChIInChI=1S/C9H10N2O2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-5,8,11H,10H2,(H,12,13)
InChIKeyBCSRCQITYGZOQW-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.04
Rot. Bonds1

About 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid

7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid (PubChem CID 112712190) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid
PubChem CID112712190
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid
SMILESNC1=CC=CC2C(C(=O)O)=CNC12
InChIInChI=1S/C9H10N2O2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-5,8,11H,10H2,(H,12,13)
InChIKeyBCSRCQITYGZOQW-UHFFFAOYSA-N
XLogP-0.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid?
The IUPAC name of 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid (CID 112712190) is 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid is NC1=CC=CC2C(C(=O)O)=CNC12.
What is the InChIKey of 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid?
The InChIKey is BCSRCQITYGZOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-5,8,11H,10H2,(H,12,13).
What are the key properties of 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid?
7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 112712190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).