3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride

C15H18ClNO2 — CID 70202945

IUPAC3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
SMILESCC(C)(N)C(C(=O)O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-15(2,16)13(14(17)18)12-8-7-10-5-3-4-6-11(10)9-12;/h3-9,13H,16H2,1-2H3,(H,17,18);1H
InChIKeyXMDSCQBJHHRNHB-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride

3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride (PubChem CID 70202945) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
PubChem CID70202945
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
SMILESCC(C)(N)C(C(=O)O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-15(2,16)13(14(17)18)12-8-7-10-5-3-4-6-11(10)9-12;/h3-9,13H,16H2,1-2H3,(H,17,18);1H
InChIKeyXMDSCQBJHHRNHB-UHFFFAOYSA-N
XLogP3.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70199608
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N-(2-amino-2-methylpropyl)-2-naphthalen-2-ylpropanamide;hydrochloride
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2-naphthalen-2-ylbutanoic acid
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CID 101175106
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
2-[(1R)-2-hydroxy-2-methyl-1-naphthalen-2-ylpropyl]propanediamide
CID 141117162
4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
diethyl 2,3-dinaphthalen-2-ylbutanedioate
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CID 11350489

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride?
The IUPAC name of 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride (CID 70202945) is 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride?
The canonical SMILES for 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride is CC(C)(N)C(C(=O)O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride?
The InChIKey is XMDSCQBJHHRNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.ClH/c1-15(2,16)13(14(17)18)12-8-7-10-5-3-4-6-11(10)9-12;/h3-9,13H,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride?
3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 70202945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).