2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid

C16H23NO2 — CID 115136462

IUPAC2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid
SMILESCN(CC(C)(C)C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-16(2,15(18)19)11-17(3)14-9-8-12-6-4-5-7-13(12)10-14/h8-10H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyWMZOHXWWKFMZCL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds4

About 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid

2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid (PubChem CID 115136462) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid
PubChem CID115136462
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid
SMILESCN(CC(C)(C)C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-16(2,15(18)19)11-17(3)14-9-8-12-6-4-5-7-13(12)10-14/h8-10H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyWMZOHXWWKFMZCL-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79623810
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
3-amino-4-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]butanoic acid
CID 115241543
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 10536160
2,2-dimethyl-3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115136508
4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-3-hydroxybutanoic acid
CID 115122929
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
3-(3-cyano-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79624294
N-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
CID 115190982
N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115215476
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid (CID 115136462) is 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid is CN(CC(C)(C)C(=O)O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid?
The InChIKey is WMZOHXWWKFMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,15(18)19)11-17(3)14-9-8-12-6-4-5-7-13(12)10-14/h8-10H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid?
2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid is sourced from PubChem (CID 115136462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).