2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid

C16H23NO3 — CID 82312862

IUPAC2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
SMILESCCC(NCC(O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C16H23NO3/c1-2-14(16(19)20)17-10-15(18)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14-15,17-18H,2-6,10H2,1H3,(H,19,20)
InChIKeyHLZYSCLWNGXLSA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds6

About 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid

2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid (PubChem CID 82312862) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
PubChem CID82312862
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
SMILESCCC(NCC(O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C16H23NO3/c1-2-14(16(19)20)17-10-15(18)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14-15,17-18H,2-6,10H2,1H3,(H,19,20)
InChIKeyHLZYSCLWNGXLSA-UHFFFAOYSA-N
XLogP2.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid with MolForge

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Related Compounds

2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
CID 3029491
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
4-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312859
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82121740
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82312858
2-[[1-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]amino]butanoic acid
CID 82100355
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid?
The IUPAC name of 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid (CID 82312862) is 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid is CCC(NCC(O)c1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid?
The InChIKey is HLZYSCLWNGXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-14(16(19)20)17-10-15(18)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14-15,17-18H,2-6,10H2,1H3,(H,19,20).
What are the key properties of 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid?
2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid is sourced from PubChem (CID 82312862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).