2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid

C14H19NO3 — CID 23356760

IUPAC2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)(CC(=O)O)CC2(C)N
InChIInChI=1S/C14H19NO3/c1-13(7-12(16)17)8-14(2,15)10-5-4-9(18-3)6-11(10)13/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyRZGTZYHQEAVJLS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds3

About 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid

2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid (PubChem CID 23356760) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
PubChem CID23356760
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
SMILESCOc1ccc2c(c1)C(C)(CC(=O)O)CC2(C)N
InChIInChI=1S/C14H19NO3/c1-13(7-12(16)17)8-14(2,15)10-5-4-9(18-3)6-11(10)13/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyRZGTZYHQEAVJLS-UHFFFAOYSA-N
XLogP2.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580
2-(6-methoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-yl)acetic acid
CID 14343895
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088
2-(2-chloro-1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 143390413
2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
CID 11172367
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392
2-[3-(2-amino-5-methoxyphenyl)sulfanylazetidin-3-yl]acetic acid
CID 107141262
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid?
The IUPAC name of 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid (CID 23356760) is 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid is COc1ccc2c(c1)C(C)(CC(=O)O)CC2(C)N.
What is the InChIKey of 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid?
The InChIKey is RZGTZYHQEAVJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-13(7-12(16)17)8-14(2,15)10-5-4-9(18-3)6-11(10)13/h4-6H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid?
2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid is sourced from PubChem (CID 23356760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).