methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

C14H19NO2 — CID 146904736

IUPACmethyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)CCC1CCc2cc(N)ccc2C1
InChIInChI=1S/C14H19NO2/c1-17-14(16)7-3-10-2-4-12-9-13(15)6-5-11(12)8-10/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyAADOVWDWFFHTHV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds3

About methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (PubChem CID 146904736) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
PubChem CID146904736
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)CCC1CCc2cc(N)ccc2C1
InChIInChI=1S/C14H19NO2/c1-17-14(16)7-3-10-2-4-12-9-13(15)6-5-11(12)8-10/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyAADOVWDWFFHTHV-UHFFFAOYSA-N
XLogP2.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 70363837
methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969
(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 58289871
ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 70049815
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
methyl 2-(6-amino-3,4-dihydro-2H-chromen-2-yl)acetate;hydrochloride
CID 157401731
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
[4-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl] hexanoate
CID 20500685
[4-(6-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl] octanoate
CID 20500099
propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 11315060
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 139896307

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The IUPAC name of methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (CID 146904736) is methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is COC(=O)CCC1CCc2cc(N)ccc2C1.
What is the InChIKey of methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The InChIKey is AADOVWDWFFHTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)7-3-10-2-4-12-9-13(15)6-5-11(12)8-10/h5-6,9-10H,2-4,7-8,15H2,1H3.
What are the key properties of methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is sourced from PubChem (CID 146904736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).