(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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Related Compounds

2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 115045512
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
1-amino-4-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 115045511
(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 144958529

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).