2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid

C15H21NO2 — CID 54959578

IUPAC2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
SMILESCC(NC(C)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(16-11(2)15(17)18)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyPPQAMOPTZVVOEY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds4

About 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid (PubChem CID 54959578) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
PubChem CID54959578
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
SMILESCC(NC(C)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(16-11(2)15(17)18)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyPPQAMOPTZVVOEY-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859207
(2R)-N-carbamoyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859233
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 81338020
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8858993
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232
4-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]pentan-1-ol
CID 61246406
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
CID 81339451
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid (CID 54959578) is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid is CC(NC(C)c1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
The InChIKey is PPQAMOPTZVVOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(16-11(2)15(17)18)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid is sourced from PubChem (CID 54959578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).