(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

C11H15N3O5 — CID 61151604

IUPAC(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)N[C@@H](CO)C(=O)O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-2-5-14-9(16)4-3-7(13-14)10(17)12-8(6-15)11(18)19/h3-4,8,15H,2,5-6H2,1H3,(H,12,17)(H,18,19)/t8-/m0/s1
InChIKeyDMHLTMPDFUNTAQ-QMMMGPOBSA-N
MW269.26 g/mol
LogP-1.17
Rot. Bonds6

About (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 61151604) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
PubChem CID61151604
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)N[C@@H](CO)C(=O)O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-2-5-14-9(16)4-3-7(13-14)10(17)12-8(6-15)11(18)19/h3-4,8,15H,2,5-6H2,1H3,(H,12,17)(H,18,19)/t8-/m0/s1
InChIKeyDMHLTMPDFUNTAQ-QMMMGPOBSA-N
XLogP-1.17
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (CID 61151604) is (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is CCCn1nc(C(=O)N[C@@H](CO)C(=O)O)ccc1=O.
What is the InChIKey of (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is DMHLTMPDFUNTAQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-5-14-9(16)4-3-7(13-14)10(17)12-8(6-15)11(18)19/h3-4,8,15H,2,5-6H2,1H3,(H,12,17)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61151604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).