2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid

C15H23N3O5 — CID 56847356

IUPAC2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCC(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H23N3O5/c1-9(15(22)23)17-14(21)11(16)5-3-4-7-18-8-6-12(19)13(20)10(18)2/h6,8-9,11,20H,3-5,7,16H2,1-2H3,(H,17,21)(H,22,23)
InChIKeyCHLRCRDWZLXMDI-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.05
Rot. Bonds8

About 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid

2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid (PubChem CID 56847356) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid
PubChem CID56847356
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCC(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H23N3O5/c1-9(15(22)23)17-14(21)11(16)5-3-4-7-18-8-6-12(19)13(20)10(18)2/h6,8-9,11,20H,3-5,7,16H2,1-2H3,(H,17,21)(H,22,23)
InChIKeyCHLRCRDWZLXMDI-UHFFFAOYSA-N
XLogP-0.05
TPSA134.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid (CID 56847356) is 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid is Cc1c(O)c(=O)ccn1CCCCC(N)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid?
The InChIKey is CHLRCRDWZLXMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-9(15(22)23)17-14(21)11(16)5-3-4-7-18-8-6-12(19)13(20)10(18)2/h6,8-9,11,20H,3-5,7,16H2,1-2H3,(H,17,21)(H,22,23).
What are the key properties of 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid?
2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid has a molecular weight of 325.37 g/mol, XLogP of -0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid is sourced from PubChem (CID 56847356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).