3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid

C12H15NO4 — CID 82159256

IUPAC3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCOc1cc(OC)c2c(c1)C(N)CC2C(=O)O
InChIInChI=1S/C12H15NO4/c1-16-6-3-7-9(13)5-8(12(14)15)11(7)10(4-6)17-2/h3-4,8-9H,5,13H2,1-2H3,(H,14,15)
InChIKeyLTVSZLUQSZOCPH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid

3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 82159256) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID82159256
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCOc1cc(OC)c2c(c1)C(N)CC2C(=O)O
InChIInChI=1S/C12H15NO4/c1-16-6-3-7-9(13)5-8(12(14)15)11(7)10(4-6)17-2/h3-4,8-9H,5,13H2,1-2H3,(H,14,15)
InChIKeyLTVSZLUQSZOCPH-UHFFFAOYSA-N
XLogP1.28
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82159257
3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159287
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117416973
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
3-amino-5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158513
2-(5,7-dimethoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82496963
5,7-dimethoxy-1H-inden-1-amine
CID 82158129
5,7-dimethoxy-1-methyl-2,3-dihydroindole-2-carboxylic acid
CID 83870301
4-amino-6,8-dimethoxy-1-methyl-3,4-dihydroquinolin-2-one
CID 84628304
(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
CID 124552560

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid (CID 82159256) is 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid is COc1cc(OC)c2c(c1)C(N)CC2C(=O)O.
What is the InChIKey of 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is LTVSZLUQSZOCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-6-3-7-9(13)5-8(12(14)15)11(7)10(4-6)17-2/h3-4,8-9H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 82159256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).