2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid

C12H17N3O3 — CID 67328330

IUPAC2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
SMILESNC(CCCNC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-10(12(17)18)4-2-6-15-11(16)7-9-3-1-5-14-8-9/h1,3,5,8,10H,2,4,6-7,13H2,(H,15,16)(H,17,18)
InChIKeyFIZYTGVHKQDXGT-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.07
Rot. Bonds7

About 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid

2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid (PubChem CID 67328330) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
PubChem CID67328330
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
SMILESNC(CCCNC(=O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-10(12(17)18)4-2-6-15-11(16)7-9-3-1-5-14-8-9/h1,3,5,8,10H,2,4,6-7,13H2,(H,15,16)(H,17,18)
InChIKeyFIZYTGVHKQDXGT-UHFFFAOYSA-N
XLogP-0.07
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.07
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

(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid
CID 14628128
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
CID 23208419
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
CID 66868100
CID 66868100
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
2-amino-7-borono-7-pyridin-3-ylheptanoic acid
CID 175230962

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid?
The IUPAC name of 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid (CID 67328330) is 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid is NC(CCCNC(=O)Cc1cccnc1)C(=O)O.
What is the InChIKey of 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid?
The InChIKey is FIZYTGVHKQDXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-10(12(17)18)4-2-6-15-11(16)7-9-3-1-5-14-8-9/h1,3,5,8,10H,2,4,6-7,13H2,(H,15,16)(H,17,18).
What are the key properties of 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid?
2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid has a molecular weight of 251.29 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 67328330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).