(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid

C9H10N2O2 — CID 130664684

IUPAC(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESNc1cccc2c1C[C@H](C(=O)O)N2
InChIInChI=1S/C9H10N2O2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-3,8,11H,4,10H2,(H,12,13)/t8-/m1/s1
InChIKeyZENVZYSIIJVUGS-MRVPVSSYSA-N
MW178.19 g/mol
LogP0.69
Rot. Bonds1

About (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid

(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 130664684) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID130664684
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESNc1cccc2c1C[C@H](C(=O)O)N2
InChIInChI=1S/C9H10N2O2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-3,8,11H,4,10H2,(H,12,13)/t8-/m1/s1
InChIKeyZENVZYSIIJVUGS-MRVPVSSYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid (CID 130664684) is (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid is Nc1cccc2c1C[C@H](C(=O)O)N2.
What is the InChIKey of (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is ZENVZYSIIJVUGS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-3,8,11H,4,10H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid?
(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 130664684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).