methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C13H17NO2 — CID 54070173

IUPACmethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C13H17NO2/c1-16-13(15)7-9-2-3-10-4-5-12(14)8-11(10)6-9/h2-3,6,12H,4-5,7-8,14H2,1H3
InChIKeyMFWSNADODNVXHH-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate

methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 54070173) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID54070173
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C13H17NO2/c1-16-13(15)7-9-2-3-10-4-5-12(14)8-11(10)6-9/h2-3,6,12H,4-5,7-8,14H2,1H3
InChIKeyMFWSNADODNVXHH-UHFFFAOYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-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 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate
CID 70603938
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
CID 88794450
methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
6-(methylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193207
methyl 2-[(4S)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetate
CID 131610471

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 54070173) is methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate is COC(=O)Cc1ccc2c(c1)CC(N)CC2.
What is the InChIKey of methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is MFWSNADODNVXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)7-9-2-3-10-4-5-12(14)8-11(10)6-9/h2-3,6,12H,4-5,7-8,14H2,1H3.
What are the key properties of methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 219.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 54070173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).