methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate

C13H17NO2 — CID 43179666

IUPACmethyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)CNc1cccc2c1CCCC2
InChIInChI=1S/C13H17NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8,14H,2-3,5,7,9H2,1H3
InChIKeySGKVGXSDPGBEKL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds3

About methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate

methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate (PubChem CID 43179666) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
PubChem CID43179666
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)CNc1cccc2c1CCCC2
InChIInChI=1S/C13H17NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8,14H,2-3,5,7,9H2,1H3
InChIKeySGKVGXSDPGBEKL-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate?
The IUPAC name of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate (CID 43179666) is methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate.
What is the SMILES notation for methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate?
The canonical SMILES for methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate is COC(=O)CNc1cccc2c1CCCC2.
What is the InChIKey of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate?
The InChIKey is SGKVGXSDPGBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8,14H,2-3,5,7,9H2,1H3.
What are the key properties of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate?
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate is sourced from PubChem (CID 43179666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).