4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide

C11H18N4O2 — CID 43126825

IUPAC4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CC(O)CN1
InChIInChI=1S/C11H18N4O2/c16-9-6-10(14-7-9)11(17)13-2-1-4-15-5-3-12-8-15/h3,5,8-10,14,16H,1-2,4,6-7H2,(H,13,17)
InChIKeyDYWGIUDZWDVCMW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.89
Rot. Bonds5

About 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 43126825) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID43126825
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CC(O)CN1
InChIInChI=1S/C11H18N4O2/c16-9-6-10(14-7-9)11(17)13-2-1-4-15-5-3-12-8-15/h3,5,8-10,14,16H,1-2,4,6-7H2,(H,13,17)
InChIKeyDYWGIUDZWDVCMW-UHFFFAOYSA-N
XLogP-0.89
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide (CID 43126825) is 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCn1ccnc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is DYWGIUDZWDVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-9-6-10(14-7-9)11(17)13-2-1-4-15-5-3-12-8-15/h3,5,8-10,14,16H,1-2,4,6-7H2,(H,13,17).
What are the key properties of 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43126825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).