(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid

C11H14N2O3 — CID 161352195

IUPAC(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
SMILESN[C@@H](CCC(=O)Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-10(11(15)16)5-4-9(14)7-8-3-1-2-6-13-8/h1-3,6,10H,4-5,7,12H2,(H,15,16)/t10-/m0/s1
InChIKeyVOBJMIARQJAFNW-JTQLQIEISA-N
MW222.24 g/mol
LogP0.39
Rot. Bonds6

About (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid

(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid (PubChem CID 161352195) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
PubChem CID161352195
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
SMILESN[C@@H](CCC(=O)Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-10(11(15)16)5-4-9(14)7-8-3-1-2-6-13-8/h1-3,6,10H,4-5,7,12H2,(H,15,16)/t10-/m0/s1
InChIKeyVOBJMIARQJAFNW-JTQLQIEISA-N
XLogP0.39
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
4-amino-1-pyridin-2-ylhexan-2-one
CID 116609167
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
CID 131857449
CID 131857449
1-pyridin-2-yldecan-2-one
CID 62622628
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-amino-4-pyridin-2-ylbutanamide
CID 64990711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid (CID 161352195) is (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid is N[C@@H](CCC(=O)Cc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid?
The InChIKey is VOBJMIARQJAFNW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10(11(15)16)5-4-9(14)7-8-3-1-2-6-13-8/h1-3,6,10H,4-5,7,12H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid?
(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 161352195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).