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

C10H11NO2 — CID 86332255

IUPAC(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNc1cccc2c1CC[C@H]2C(=O)O
InChIInChI=1S/C10H11NO2/c11-9-3-1-2-6-7(9)4-5-8(6)10(12)13/h1-3,8H,4-5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyRYKWENLBNLTGQK-MRVPVSSYSA-N
MW177.20 g/mol
LogP1.38
Rot. Bonds1

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

(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 86332255) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID86332255
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNc1cccc2c1CC[C@H]2C(=O)O
InChIInChI=1S/C10H11NO2/c11-9-3-1-2-6-7(9)4-5-8(6)10(12)13/h1-3,8H,4-5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyRYKWENLBNLTGQK-MRVPVSSYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
bis(4-amino-2,3-dihydro-1H-inden-1-yl) (E)-but-2-enedioate
CID 174430284
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 131146204
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 88775312
methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate
CID 105493116
1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine
CID 105436662
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
CID 165476164
N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 165486716

Frequently Asked Questions

What is the IUPAC name of (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid (CID 86332255) is (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid is Nc1cccc2c1CC[C@H]2C(=O)O.
What is the InChIKey of (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is RYKWENLBNLTGQK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9-3-1-2-6-7(9)4-5-8(6)10(12)13/h1-3,8H,4-5,11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid?
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 86332255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).