(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid

C10H11NO2 — CID 70327463

IUPAC(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESN[C@H]1c2ccccc2C[C@@H]1C(=O)O
InChIInChI=1S/C10H11NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10(12)13/h1-4,8-9H,5,11H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyDNDUYUYIRYKACW-IUCAKERBSA-N
MW177.20 g/mol
LogP0.94
Rot. Bonds1

About (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid

(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 70327463) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID70327463
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESN[C@H]1c2ccccc2C[C@@H]1C(=O)O
InChIInChI=1S/C10H11NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10(12)13/h1-4,8-9H,5,11H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyDNDUYUYIRYKACW-IUCAKERBSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid (CID 70327463) is (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid is N[C@H]1c2ccccc2C[C@@H]1C(=O)O.
What is the InChIKey of (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is DNDUYUYIRYKACW-IUCAKERBSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10(12)13/h1-4,8-9H,5,11H2,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid?
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 70327463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).