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

C15H21NO2 — CID 116937900

IUPAC3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18)13(16)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyLGRWYHLORHTLOB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds3

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

3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 116937900) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID116937900
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)C(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18)13(16)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyLGRWYHLORHTLOB-UHFFFAOYSA-N
XLogP2.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3,4-dihydro-2H-thiochromen-6-yl)-2,2-dimethylpropanoic acid
CID 116937979
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116934441
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297695
2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
CID 116945049
2-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 61220351
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 116850923
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 116937993
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (CID 116937900) is 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is CC(C)(C(=O)O)C(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is LGRWYHLORHTLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,14(17)18)13(16)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.68, 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-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 116937900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).