(2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid

C12H17N3O6 — CID 70275385

IUPAC(2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid
SMILESN[C@H](CCO)C(=O)Oc1cn(C[C@H](N)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O6/c13-7(2-4-16)12(20)21-10-6-15(3-1-9(10)17)5-8(14)11(18)19/h1,3,6-8,16H,2,4-5,13-14H2,(H,18,19)/t7-,8+/m1/s1
InChIKeyZZCZZWMYNTURML-SFYZADRCSA-N
MW299.28 g/mol
LogP-2.12
Rot. Bonds7

About (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid

(2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid (PubChem CID 70275385) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid
PubChem CID70275385
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name(2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid
SMILESN[C@H](CCO)C(=O)Oc1cn(C[C@H](N)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O6/c13-7(2-4-16)12(20)21-10-6-15(3-1-9(10)17)5-8(14)11(18)19/h1,3,6-8,16H,2,4-5,13-14H2,(H,18,19)/t7-,8+/m1/s1
InChIKeyZZCZZWMYNTURML-SFYZADRCSA-N
XLogP-2.12
TPSA157.87 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid with MolForge

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Related Compounds

2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron
CID 67948493
1-(2-aminopropyl)-3-methylpyridin-4-one
CID 130576959
2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate
CID 6431744
2-amino-4-hydroxybutanoic acid;piperazine-2,3-dione
CID 67413612
2-amino-3-(9-oxoacridin-10-yl)propanoic acid
CID 65443403
bis[(2S)-2-amino-4-hydroxybutanoyl] butanedioate
CID 91277760
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25205018
(2R)-2-amino-3-[4-[(2S)-2,6-diaminohexanoyl]oxyphenyl]propanoic acid
CID 91045308
2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid
CID 107711556
(2S)-2-amino-4-pyrrol-1-ylbutanoic acid
CID 18685850
3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide
CID 66397421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid (CID 70275385) is (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid is N[C@H](CCO)C(=O)Oc1cn(C[C@H](N)C(=O)O)ccc1=O.
What is the InChIKey of (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid?
The InChIKey is ZZCZZWMYNTURML-SFYZADRCSA-N. The full InChI is InChI=1S/C12H17N3O6/c13-7(2-4-16)12(20)21-10-6-15(3-1-9(10)17)5-8(14)11(18)19/h1,3,6-8,16H,2,4-5,13-14H2,(H,18,19)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid?
(2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid has a molecular weight of 299.28 g/mol, XLogP of -2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 70275385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).