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

C15H20FNO2 — CID 21102312

IUPAC(2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1CCc2cccc(F)c2C1)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-4-14(15(18)19)17-11-8-7-10-5-3-6-13(16)12(10)9-11/h3,5-6,11,14,17H,2,4,7-9H2,1H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyALADUQLWKPVDSN-IAXJKZSUSA-N
MW265.33 g/mol
LogP2.53
Rot. Bonds5

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

(2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (PubChem CID 21102312) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
PubChem CID21102312
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1CCc2cccc(F)c2C1)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-4-14(15(18)19)17-11-8-7-10-5-3-6-13(16)12(10)9-11/h3,5-6,11,14,17H,2,4,7-9H2,1H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyALADUQLWKPVDSN-IAXJKZSUSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (CID 21102312) is (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is CCC[C@H](NC1CCc2cccc(F)c2C1)C(=O)O.
What is the InChIKey of (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The InChIKey is ALADUQLWKPVDSN-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-4-14(15(18)19)17-11-8-7-10-5-3-6-13(16)12(10)9-11/h3,5-6,11,14,17H,2,4,7-9H2,1H3,(H,18,19)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
(2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid has a molecular weight of 265.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is sourced from PubChem (CID 21102312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).