(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid

C15H21NO2 — CID 28931166

IUPAC(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
SMILESN[C@@H](CCCC(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c16-14(6-3-7-15(17)18)13-9-8-11-4-1-2-5-12(11)10-13/h8-10,14H,1-7,16H2,(H,17,18)/t14-/m0/s1
InChIKeyBRDRCKAFQOSVDT-AWEZNQCLSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds5

About (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid

(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid (PubChem CID 28931166) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
PubChem CID28931166
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
SMILESN[C@@H](CCCC(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c16-14(6-3-7-15(17)18)13-9-8-11-4-1-2-5-12(11)10-13/h8-10,14H,1-7,16H2,(H,17,18)/t14-/m0/s1
InChIKeyBRDRCKAFQOSVDT-AWEZNQCLSA-N
XLogP2.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384
5-amino-5-(3,4-dihydro-2H-thiochromen-6-yl)pentanoic acid
CID 116937871
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 116850923
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474
4-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312859
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
CID 28931172
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid?
The IUPAC name of (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid (CID 28931166) is (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid.
What is the SMILES notation for (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid?
The canonical SMILES for (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid is N[C@@H](CCCC(=O)O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid?
The InChIKey is BRDRCKAFQOSVDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c16-14(6-3-7-15(17)18)13-9-8-11-4-1-2-5-12(11)10-13/h8-10,14H,1-7,16H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid?
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid is sourced from PubChem (CID 28931166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).