2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid

C15H17NO2 — CID 43803122

IUPAC2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
SMILESCN(C)C(C)(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-15(14(17)18,16(2)3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3,(H,17,18)
InChIKeyDCDSNTWTFOXRLV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds3

About 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid

2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid (PubChem CID 43803122) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
PubChem CID43803122
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
SMILESCN(C)C(C)(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-15(14(17)18,16(2)3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3,(H,17,18)
InChIKeyDCDSNTWTFOXRLV-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
trinaphthalen-2-ylmethanol
CID 10573628
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
(2R)-2-amino-N-benzyl-N-methyl-2-naphthalen-2-ylpropanamide
CID 22880268
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid (CID 43803122) is 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid is CN(C)C(C)(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid?
The InChIKey is DCDSNTWTFOXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(14(17)18,16(2)3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3,(H,17,18).
What are the key properties of 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid?
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid has a molecular weight of 243.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 43803122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).