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

C15H22N2O2 — CID 115240814

IUPAC2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H22N2O2/c16-14(15(18)19)10-17-8-7-11-5-6-12-3-1-2-4-13(12)9-11/h5-6,9,14,17H,1-4,7-8,10,16H2,(H,18,19)
InChIKeyGUZFCSXBPUGOBU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.11
Rot. Bonds6

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

2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid (PubChem CID 115240814) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
PubChem CID115240814
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H22N2O2/c16-14(15(18)19)10-17-8-7-11-5-6-12-3-1-2-4-13(12)9-11/h5-6,9,14,17H,1-4,7-8,10,16H2,(H,18,19)
InChIKeyGUZFCSXBPUGOBU-UHFFFAOYSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 115240823
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115219521
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
CID 64582443
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 115153778
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
The IUPAC name of 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid (CID 115240814) is 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid is NC(CNCCc1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
The InChIKey is GUZFCSXBPUGOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(15(18)19)10-17-8-7-11-5-6-12-3-1-2-4-13(12)9-11/h5-6,9,14,17H,1-4,7-8,10,16H2,(H,18,19).
What are the key properties of 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid?
2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid is sourced from PubChem (CID 115240814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).