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

C15H20BrNO2 — CID 69168062

IUPAC2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
SMILESCCCC(N[C@H]1CCc2cc(Br)ccc2C1)C(=O)O
InChIInChI=1S/C15H20BrNO2/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
InChIKeyREDCCYVERSQYTI-LSLKUGRBSA-N
MW326.23 g/mol
LogP3.15
Rot. Bonds5

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

2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid (PubChem CID 69168062) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
PubChem CID69168062
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
SMILESCCCC(N[C@H]1CCc2cc(Br)ccc2C1)C(=O)O
InChIInChI=1S/C15H20BrNO2/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
InChIKeyREDCCYVERSQYTI-LSLKUGRBSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid with MolForge

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Related Compounds

L-Norvaline, N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-
CID 118704806
(2S)-3-(4-bromophenyl)-2-(methylamino)propanoic acid hydrochloride
CID 167725190
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
(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 21102311
(2S)-2-[(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 21102312
2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid
CID 21112802
2-[(6-Fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 67547469
2-[(5,7-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 67548598
2-[[(2S)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
CID 69319513
2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
CID 69319838
2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
CID 69321621

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid (CID 69168062) is 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid is CCCC(N[C@H]1CCc2cc(Br)ccc2C1)C(=O)O.
What is the InChIKey of 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
The InChIKey is REDCCYVERSQYTI-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H20BrNO2/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 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid has a molecular weight of 326.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid is sourced from PubChem (CID 69168062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).