methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate

C13H17NO3 — CID 166125952

IUPACmethyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1c2ccc(OC)cc2CC1N
InChIInChI=1S/C13H17NO3/c1-16-9-3-4-10-8(5-9)6-12(14)11(10)7-13(15)17-2/h3-5,11-12H,6-7,14H2,1-2H3
InChIKeyDSIMTJKNFHELRB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.23
Rot. Bonds3

About methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate

methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 166125952) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID166125952
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1c2ccc(OC)cc2CC1N
InChIInChI=1S/C13H17NO3/c1-16-9-3-4-10-8(5-9)6-12(14)11(10)7-13(15)17-2/h3-5,11-12H,6-7,14H2,1-2H3
InChIKeyDSIMTJKNFHELRB-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 115032558
2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167179321
5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
CID 166125999
4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 167179397
methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
CID 21449392
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747
methyl 2-(3-hydroxyimino-6-methoxy-1,2-dihydroinden-1-yl)acetate
CID 86650493
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
methyl (2S,4aS,10aR)-7-methoxy-1-(2-methoxy-2-oxoethyl)-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate
CID 134841061

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (CID 166125952) is methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate is COC(=O)CC1c2ccc(OC)cc2CC1N.
What is the InChIKey of methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is DSIMTJKNFHELRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-9-3-4-10-8(5-9)6-12(14)11(10)7-13(15)17-2/h3-5,11-12H,6-7,14H2,1-2H3.
What are the key properties of methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 235.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 166125952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).