(2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid

C15H19F2NO2 — CID 21102310

IUPAC(2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)O
InChIInChI=1S/C15H19F2NO2/c1-2-3-14(15(19)20)18-11-5-4-9-6-10(16)7-13(17)12(9)8-11/h6-7,11,14,18H,2-5,8H2,1H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyFLNXVLGQDJBZSD-IAXJKZSUSA-N
MW283.32 g/mol
LogP2.66
Rot. Bonds5

About (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid

(2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (PubChem CID 21102310) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
PubChem CID21102310
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)O
InChIInChI=1S/C15H19F2NO2/c1-2-3-14(15(19)20)18-11-5-4-9-6-10(16)7-13(17)12(9)8-11/h6-7,11,14,18H,2-5,8H2,1H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyFLNXVLGQDJBZSD-IAXJKZSUSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (CID 21102310) is (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is CCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)O.
What is the InChIKey of (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The InChIKey is FLNXVLGQDJBZSD-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-3-14(15(19)20)18-11-5-4-9-6-10(16)7-13(17)12(9)8-11/h6-7,11,14,18H,2-5,8H2,1H3,(H,19,20)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
(2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid has a molecular weight of 283.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is sourced from PubChem (CID 21102310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).