(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C19H19NO3 — CID 59505364

IUPAC(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1cccc(C)c1C(=O)N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C19H19NO3/c1-11-4-3-5-12(2)17(11)18(21)20-16-9-8-13-6-7-14(19(22)23)10-15(13)16/h3-7,10,16H,8-9H2,1-2H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyLYFBGSXORNWXOZ-MRXNPFEDSA-N
MW309.37 g/mol
LogP3.42
Rot. Bonds3

About (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505364) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505364
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1cccc(C)c1C(=O)N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C19H19NO3/c1-11-4-3-5-12(2)17(11)18(21)20-16-9-8-13-6-7-14(19(22)23)10-15(13)16/h3-7,10,16H,8-9H2,1-2H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyLYFBGSXORNWXOZ-MRXNPFEDSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Related Compounds

3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799120
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505245
N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide
CID 160538684
(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505366
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66827063
methyl 3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67547074
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505364) is (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1cccc(C)c1C(=O)N[C@@H]1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is LYFBGSXORNWXOZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-4-3-5-12(2)17(11)18(21)20-16-9-8-13-6-7-14(19(22)23)10-15(13)16/h3-7,10,16H,8-9H2,1-2H3,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).