2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid

C15H23N3O5 — CID 18442603

IUPAC2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid
SMILESO=CN(O)CC(CC1CCCC1)C(=O)N1CCC=CN1C(=O)O
InChIInChI=1S/C15H23N3O5/c19-11-16(23)10-13(9-12-5-1-2-6-12)14(20)17-7-3-4-8-18(17)15(21)22/h4,8,11-13,23H,1-3,5-7,9-10H2,(H,21,22)
InChIKeyIOKCLVKMVWMWHI-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.67
Rot. Bonds6

About 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid

2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid (PubChem CID 18442603) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid
PubChem CID18442603
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid
SMILESO=CN(O)CC(CC1CCCC1)C(=O)N1CCC=CN1C(=O)O
InChIInChI=1S/C15H23N3O5/c19-11-16(23)10-13(9-12-5-1-2-6-12)14(20)17-7-3-4-8-18(17)15(21)22/h4,8,11-13,23H,1-3,5-7,9-10H2,(H,21,22)
InChIKeyIOKCLVKMVWMWHI-UHFFFAOYSA-N
XLogP1.67
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid?
The IUPAC name of 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid (CID 18442603) is 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid is O=CN(O)CC(CC1CCCC1)C(=O)N1CCC=CN1C(=O)O.
What is the InChIKey of 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid?
The InChIKey is IOKCLVKMVWMWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c19-11-16(23)10-13(9-12-5-1-2-6-12)14(20)17-7-3-4-8-18(17)15(21)22/h4,8,11-13,23H,1-3,5-7,9-10H2,(H,21,22).
What are the key properties of 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid?
2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid is sourced from PubChem (CID 18442603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).