(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid

C13H19N3O3 — CID 14628128

IUPAC(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid
SMILESN[C@@H](CCCCNC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C13H19N3O3/c14-11(13(18)19)5-1-2-7-16-12(17)8-10-4-3-6-15-9-10/h3-4,6,9,11H,1-2,5,7-8,14H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyFRHQNBMVJJTKKH-NSHDSACASA-N
MW265.31 g/mol
LogP0.32
Rot. Bonds8

About (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid

(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid (PubChem CID 14628128) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid
PubChem CID14628128
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid
SMILESN[C@@H](CCCCNC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C13H19N3O3/c14-11(13(18)19)5-1-2-7-16-12(17)8-10-4-3-6-15-9-10/h3-4,6,9,11H,1-2,5,7-8,14H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyFRHQNBMVJJTKKH-NSHDSACASA-N
XLogP0.32
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
CID 67328330
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
(2S)-2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 22886039
2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 21189455
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
2-amino-6-[[2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]hexanoic acid
CID 123804497
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
2-amino-7-borono-7-pyridin-3-ylheptanoic acid
CID 175230962
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid (CID 14628128) is (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid is N[C@@H](CCCCNC(=O)Cc1cccnc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid?
The InChIKey is FRHQNBMVJJTKKH-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11(13(18)19)5-1-2-7-16-12(17)8-10-4-3-6-15-9-10/h3-4,6,9,11H,1-2,5,7-8,14H2,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid?
(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 14628128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).