3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid

C16H19NO2 — CID 116937993

IUPAC3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
SMILESCc1ccc2cc(C(N)C(C)(C)C(=O)O)ccc2c1
InChIInChI=1S/C16H19NO2/c1-10-4-5-12-9-13(7-6-11(12)8-10)14(17)16(2,3)15(18)19/h4-9,14H,17H2,1-3H3,(H,18,19)
InChIKeyWOYNKZXIKSVKQJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid

3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid (PubChem CID 116937993) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
PubChem CID116937993
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
SMILESCc1ccc2cc(C(N)C(C)(C)C(=O)O)ccc2c1
InChIInChI=1S/C16H19NO2/c1-10-4-5-12-9-13(7-6-11(12)8-10)14(17)16(2,3)15(18)19/h4-9,14H,17H2,1-3H3,(H,18,19)
InChIKeyWOYNKZXIKSVKQJ-UHFFFAOYSA-N
XLogP3.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-1-(6-methylnaphthalen-2-yl)propane-1,2-diamine
CID 116938972
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile
CID 116940475
2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid
CID 116942743
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 84676780
2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938681
2,3-dibromo-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 134893575
methyl 2-hydroxy-2-(6-methylnaphthalen-2-yl)acetate
CID 70589990
(2R)-2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
CID 66808040
ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate
CID 116863158
(2S,5S)-5-(6-methylnaphthalen-2-yl)-4-oxo-2-propan-2-ylhexanoic acid
CID 148906960
(3R)-3-amino-2,2-dimethyl-3-(4-nitrophenyl)propanoic acid
CID 177432789

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid (CID 116937993) is 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid is Cc1ccc2cc(C(N)C(C)(C)C(=O)O)ccc2c1.
What is the InChIKey of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid?
The InChIKey is WOYNKZXIKSVKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-4-5-12-9-13(7-6-11(12)8-10)14(17)16(2,3)15(18)19/h4-9,14H,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid?
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 116937993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).