(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid

C11H15BrN2O2 — CID 122063013

IUPAC(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1cncc(Br)c1)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-2-3-4-10(11(15)16)14-9-5-8(12)6-13-7-9/h5-7,10,14H,2-4H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYVOXHVGFLIEZKD-JTQLQIEISA-N
MW287.16 g/mol
LogP2.90
Rot. Bonds6

About (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid

(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid (PubChem CID 122063013) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
PubChem CID122063013
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1cncc(Br)c1)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-2-3-4-10(11(15)16)14-9-5-8(12)6-13-7-9/h5-7,10,14H,2-4H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYVOXHVGFLIEZKD-JTQLQIEISA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid
CID 130492216
2-(3-bromo-5-methoxyanilino)hexanoic acid
CID 103262077
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
2-(4-bromoanilino)octanoic acid
CID 55223557
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
(2S)-2-(4-bromoanilino)pentanoic acid
CID 40788491
2-(4-methylsulfanylanilino)hexanoic acid
CID 103232532
2-(3-methylanilino)heptanoic acid
CID 54890661
(2S)-2-(pyrimidin-5-ylcarbamoylamino)hexanoic acid
CID 107589159
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
(2S)-2-[(5-bromo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 114222532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid (CID 122063013) is (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid is CCCC[C@H](Nc1cncc(Br)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid?
The InChIKey is YVOXHVGFLIEZKD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-3-4-10(11(15)16)14-9-5-8(12)6-13-7-9/h5-7,10,14H,2-4H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid?
(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid has a molecular weight of 287.16 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 122063013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).