2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid

C15H23N3O5 — CID 56847355

IUPAC2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCC(NC(=O)C(C)N)C(=O)O
InChIInChI=1S/C15H23N3O5/c1-9(16)14(21)17-11(15(22)23)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)
InChIKeyAGWMBVRKXQPQFV-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.05
Rot. Bonds8

About 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid

2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (PubChem CID 56847355) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
PubChem CID56847355
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCC(NC(=O)C(C)N)C(=O)O
InChIInChI=1S/C15H23N3O5/c1-9(16)14(21)17-11(15(22)23)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)
InChIKeyAGWMBVRKXQPQFV-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'}

Analyze 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

L-Pyridosine
CID 15664012
(alphaS)-alpha-Amino-5-hydroxy-2-methyl-4-oxo-1(4H)-pyridinehexanoic acid
CID 193136
(2R)-2-amino-6-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25203985
6-(3-Hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)norleucine
CID 25205018
(2S)-2-amino-3-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 67990946
Maltosine
CID 71749894
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-6-aminohexanoic acid
CID 141307771
2-[[2-Amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoyl]amino]propanoic acid
CID 56847356
2-(3-Hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 82212088
2-(2-Ethyl-3-hydroxy-4-oxo-1-pyridinyl)hexanoic acid
CID 82212089
2-[2-[[Carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
CID 82218838
2-[2-[(Dimethylamino)methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
CID 82218840

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The IUPAC name of 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (CID 56847355) is 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid is Cc1c(O)c(=O)ccn1CCCCC(NC(=O)C(C)N)C(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The InChIKey is AGWMBVRKXQPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-9(16)14(21)17-11(15(22)23)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-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
2-(2-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic 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-aminopropanoylamino)-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid is sourced from PubChem (CID 56847355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).