N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide

C21H29N3O4 — CID 56683894

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H29N3O4/c25-16-22(28)15-19(13-17-9-4-5-10-17)21(27)24-12-6-11-23(24)20(26)14-18-7-2-1-3-8-18/h1-3,7-8,16-17,19,28H,4-6,9-15H2/t19-/m1/s1
InChIKeyCGRUXJDOFXOKGO-LJQANCHMSA-N
MW387.48 g/mol
LogP2.25
Rot. Bonds8

About N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide (PubChem CID 56683894) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
PubChem CID56683894
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H29N3O4/c25-16-22(28)15-19(13-17-9-4-5-10-17)21(27)24-12-6-11-23(24)20(26)14-18-7-2-1-3-8-18/h1-3,7-8,16-17,19,28H,4-6,9-15H2/t19-/m1/s1
InChIKeyCGRUXJDOFXOKGO-LJQANCHMSA-N
XLogP2.25
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-[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-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid
CID 18442603
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-4-oxo-4-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butyl]-3-[formyl(hydroxy)amino]propanamide
CID 87697773
2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide
CID 56670435
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-2-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-methylformamide
CID 58659729
benzyl 4-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]-1,4-diazepane-1-carboxylate
CID 58893016
2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 141033463
benzyl (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)carbamoyl]pyrazolidine-1-carboxylate
CID 131732109
N-[(2S)-3-[(2S)-2-(1H-benzo[f]benzimidazol-2-yl)pyrrolidin-1-yl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87681314
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 159255040
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
CID 16755320

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide (CID 56683894) is N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
The InChIKey is CGRUXJDOFXOKGO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O4/c25-16-22(28)15-19(13-17-9-4-5-10-17)21(27)24-12-6-11-23(24)20(26)14-18-7-2-1-3-8-18/h1-3,7-8,16-17,19,28H,4-6,9-15H2/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide has a molecular weight of 387.48 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide is sourced from PubChem (CID 56683894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).