cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate

C19H25N3O4 — CID 46864302

IUPACcyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate
SMILESO=C(/C=C/c1ccc(CNC2(C(=O)OC3CCCC3)CCC2)cn1)NO
InChIInChI=1S/C19H25N3O4/c23-17(22-25)9-8-15-7-6-14(12-20-15)13-21-19(10-3-11-19)18(24)26-16-4-1-2-5-16/h6-9,12,16,21,25H,1-5,10-11,13H2,(H,22,23)/b9-8+
InChIKeyRPEQENHLPUXYRG-CMDGGOBGSA-N
MW359.43 g/mol
LogP2.10
Rot. Bonds7

About cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate

cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate (PubChem CID 46864302) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate
PubChem CID46864302
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namecyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate
SMILESO=C(/C=C/c1ccc(CNC2(C(=O)OC3CCCC3)CCC2)cn1)NO
InChIInChI=1S/C19H25N3O4/c23-17(22-25)9-8-15-7-6-14(12-20-15)13-21-19(10-3-11-19)18(24)26-16-4-1-2-5-16/h6-9,12,16,21,25H,1-5,10-11,13H2,(H,22,23)/b9-8+
InChIKeyRPEQENHLPUXYRG-CMDGGOBGSA-N
XLogP2.10
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate?
The IUPAC name of cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate (CID 46864302) is cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate.
What is the SMILES notation for cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate?
The canonical SMILES for cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate is O=C(/C=C/c1ccc(CNC2(C(=O)OC3CCCC3)CCC2)cn1)NO.
What is the InChIKey of cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate?
The InChIKey is RPEQENHLPUXYRG-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-17(22-25)9-8-15-7-6-14(12-20-15)13-21-19(10-3-11-19)18(24)26-16-4-1-2-5-16/h6-9,12,16,21,25H,1-5,10-11,13H2,(H,22,23)/b9-8+.
What are the key properties of cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate?
cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 1-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]cyclobutane-1-carboxylate is sourced from PubChem (CID 46864302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).