4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid

C17H25NO3 — CID 122127288

IUPAC4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
SMILESCOc1ccc2c(c1)CC(NCCC(C)(C)C(=O)O)CC2
InChIInChI=1S/C17H25NO3/c1-17(2,16(19)20)8-9-18-14-6-4-12-5-7-15(21-3)11-13(12)10-14/h5,7,11,14,18H,4,6,8-10H2,1-3H3,(H,19,20)
InChIKeyYVWUQVLXWRFUGA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.64
Rot. Bonds6

About 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid

4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid (PubChem CID 122127288) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
PubChem CID122127288
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
SMILESCOc1ccc2c(c1)CC(NCCC(C)(C)C(=O)O)CC2
InChIInChI=1S/C17H25NO3/c1-17(2,16(19)20)8-9-18-14-6-4-12-5-7-15(21-3)11-13(12)10-14/h5,7,11,14,18H,4,6,8-10H2,1-3H3,(H,19,20)
InChIKeyYVWUQVLXWRFUGA-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol
CID 97326402
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
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
N-tert-butyl-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 115510654
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
CID 115510557
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpentan-2-ol
CID 103845700
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid (CID 122127288) is 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid is COc1ccc2c(c1)CC(NCCC(C)(C)C(=O)O)CC2.
What is the InChIKey of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is YVWUQVLXWRFUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,16(19)20)8-9-18-14-6-4-12-5-7-15(21-3)11-13(12)10-14/h5,7,11,14,18H,4,6,8-10H2,1-3H3,(H,19,20).
What are the key properties of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid?
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122127288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).