6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid

C9H10N2O2 — CID 112712195

IUPAC6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid
SMILESNC1=CC2NC(C(=O)O)=CC2C=C1
InChIInChI=1S/C9H10N2O2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-5,7,11H,10H2,(H,12,13)
InChIKeyBJTXCZSTADHFAE-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.04
Rot. Bonds1

About 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid

6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid (PubChem CID 112712195) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid
PubChem CID112712195
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid
SMILESNC1=CC2NC(C(=O)O)=CC2C=C1
InChIInChI=1S/C9H10N2O2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-5,7,11H,10H2,(H,12,13)
InChIKeyBJTXCZSTADHFAE-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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Related Compounds

6-acetyl-3a,7a-dihydro-1H-indole-2-carboxylic acid
CID 112713302
6-amino-4a,8a-dihydro-1H-quinolin-2-one
CID 163515053
6-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid
CID 112712191
1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 57452722
7-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 89245804
4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
CID 138593203
2-(2-methyl-3a,7a-dihydro-1H-indol-5-yl)acetic acid
CID 112712571
(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid
CID 15202858
6-hydroxy-5-oxo-1,7a-dihydroindole-2-carboxylic acid
CID 71417146
(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 164736851
8a,9,10,10a-tetrahydroacridine-2,6-diamine
CID 58212321
5-(2-aminoethyl)-3a,7a-dihydro-1H-indole-3-carboxylic acid
CID 112713409

Frequently Asked Questions

What is the IUPAC name of 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid (CID 112712195) is 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid is NC1=CC2NC(C(=O)O)=CC2C=C1.
What is the InChIKey of 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is BJTXCZSTADHFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-5,7,11H,10H2,(H,12,13).
What are the key properties of 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid?
6-amino-3a,7a-dihydro-1H-indole-2-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 6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 112712195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).