(5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one

C17H26N2O2 — CID 129490824

IUPAC(5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one
SMILESCC[C@H](O)CN1C(=O)CC[C@@H]1CCNCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-16(20)13-19-15(8-9-17(19)21)10-11-18-12-14-6-4-3-5-7-14/h3-7,15-16,18,20H,2,8-13H2,1H3/t15-,16+/m1/s1
InChIKeyHBXPXHXRUPXXLV-CVEARBPZSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds8

About (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one

(5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one (PubChem CID 129490824) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one
PubChem CID129490824
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one
SMILESCC[C@H](O)CN1C(=O)CC[C@@H]1CCNCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-16(20)13-19-15(8-9-17(19)21)10-11-18-12-14-6-4-3-5-7-14/h3-7,15-16,18,20H,2,8-13H2,1H3/t15-,16+/m1/s1
InChIKeyHBXPXHXRUPXXLV-CVEARBPZSA-N
XLogP1.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one (CID 129490824) is (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one is CC[C@H](O)CN1C(=O)CC[C@@H]1CCNCc1ccccc1.
What is the InChIKey of (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one?
The InChIKey is HBXPXHXRUPXXLV-CVEARBPZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-16(20)13-19-15(8-9-17(19)21)10-11-18-12-14-6-4-3-5-7-14/h3-7,15-16,18,20H,2,8-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one?
(5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one is sourced from PubChem (CID 129490824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).