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

C15H20FNO2 — CID 21102311

IUPAC(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-3-14(15(18)19)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13-14,17H,2-3,5,7,9H2,1H3,(H,18,19)/t13?,14-/m0/s1
InChIKeyQUDLFPFBUCLAIF-KZUDCZAMSA-N
MW265.33 g/mol
LogP2.53
Rot. Bonds5

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

(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (PubChem CID 21102311) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
PubChem CID21102311
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-3-14(15(18)19)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13-14,17H,2-3,5,7,9H2,1H3,(H,18,19)/t13?,14-/m0/s1
InChIKeyQUDLFPFBUCLAIF-KZUDCZAMSA-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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Related Compounds

(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 54562457
L-Norvaline, N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-
CID 118704806
(2S,3S)-3-methyl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]pentanoic acid
CID 163672387
L-Norvaline, N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-, 1,1-dimethylethyl ester
CID 125301503
(2S)-2-(butylamino)-3-phenylpropanoic acid
CID 11117604
3-(2-Fluorophenyl)-2-(methylamino)propanoic acid
CID 19046630
2-[(5,7-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 19434551
Ethyl [(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate
CID 19699373
3-(3-Fluorophenyl)-2-(methylamino)propanoic acid
CID 19771234
2-[[4-(4-Fluorophenyl)cyclohexyl]amino]acetic acid
CID 21090442
2-(S)-(5,7-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid
CID 21102309
(S)-2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid
CID 21102310

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (CID 21102311) is (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is CCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)O.
What is the InChIKey of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The InChIKey is QUDLFPFBUCLAIF-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-3-14(15(18)19)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13-14,17H,2-3,5,7,9H2,1H3,(H,18,19)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
(2S)-2-[(6-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-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is sourced from PubChem (CID 21102311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).