2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid

C13H17NO3 — CID 13472347

IUPAC2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
SMILESCOc1ccc2c(c1)CCC(NCC(=O)O)C2
InChIInChI=1S/C13H17NO3/c1-17-12-5-3-9-6-11(14-8-13(15)16)4-2-10(9)7-12/h3,5,7,11,14H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyLFMRBXXPUOKJAK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.23
Rot. Bonds4

About 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid

2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid (PubChem CID 13472347) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
PubChem CID13472347
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
SMILESCOc1ccc2c(c1)CCC(NCC(=O)O)C2
InChIInChI=1S/C13H17NO3/c1-17-12-5-3-9-6-11(14-8-13(15)16)4-2-10(9)7-12/h3,5,7,11,14H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyLFMRBXXPUOKJAK-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 115510654
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127288
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone
CID 84596415
6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23634994
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid (CID 13472347) is 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid is COc1ccc2c(c1)CCC(NCC(=O)O)C2.
What is the InChIKey of 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The InChIKey is LFMRBXXPUOKJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-12-5-3-9-6-11(14-8-13(15)16)4-2-10(9)7-12/h3,5,7,11,14H,2,4,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid is sourced from PubChem (CID 13472347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).