2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid

C15H17NO2 — CID 79629217

IUPAC2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
SMILESCC(C)(CNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H17NO2/c1-15(2,14(17)18)10-16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,16H,10H2,1-2H3,(H,17,18)
InChIKeyOUKHBTBEURHNAE-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.36
Rot. Bonds4

About 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid

2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid (PubChem CID 79629217) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
PubChem CID79629217
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
SMILESCC(C)(CNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H17NO2/c1-15(2,14(17)18)10-16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,16H,10H2,1-2H3,(H,17,18)
InChIKeyOUKHBTBEURHNAE-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
CID 106759821
3-anilino-2,2-dimethylpropanoic acid
CID 13028386
3-(2-bromo-3-chloroanilino)-2,2-dimethylpropanoic acid
CID 103479091
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile
CID 115233857
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-naphthalen-1-ylacetamide
CID 9457130
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
2-hydroxypropane-1,2,3-tricarboxylic acid;N'-naphthalen-1-ylethane-1,2-diamine
CID 174670333

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid (CID 79629217) is 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid is CC(C)(CNc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid?
The InChIKey is OUKHBTBEURHNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2,14(17)18)10-16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,16H,10H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid?
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 79629217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).