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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Related Compounds

N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 56683894
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(2-methoxyacetyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 56680553
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-3-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 56663530
2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 141033463
N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide
CID 18442627
2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide
CID 56670435
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
CID 16755320
N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide
CID 87353973
(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118712594
(2R)-2-(cyclopentylmethyl)-N-[(2S)-1-[4-(4,7-difluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74221028
(2S)-1-[(2R)-2-(cyclobutylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]pyrrolidine-2-carboxamide
CID 89331750
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-fluoro-4-pyridinyl)acetyl]-2-methylpyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 159450616

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).