(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one

C14H20N2O2 — CID 66865389

IUPAC(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CN(CCO)Cc2ccccc2)N1
InChIInChI=1S/C14H20N2O2/c17-9-8-16(10-12-4-2-1-3-5-12)11-13-6-7-14(18)15-13/h1-5,13,17H,6-11H2,(H,15,18)/t13-/m1/s1
InChIKeyMNZWDYVPDQQDHH-CYBMUJFWSA-N
MW248.33 g/mol
LogP0.76
Rot. Bonds6

About (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one

(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 66865389) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
PubChem CID66865389
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CN(CCO)Cc2ccccc2)N1
InChIInChI=1S/C14H20N2O2/c17-9-8-16(10-12-4-2-1-3-5-12)11-13-6-7-14(18)15-13/h1-5,13,17H,6-11H2,(H,15,18)/t13-/m1/s1
InChIKeyMNZWDYVPDQQDHH-CYBMUJFWSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
CID 123624620
5-[[benzyl(2-hydroxyethyl)amino]methyl]-3-prop-2-ynylpyrrolidin-2-one
CID 175110365
3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 103057747
5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
CID 60706787
(5R)-5-benzylpyrrolidin-2-one
CID 740530
(5S)-N-benzyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26328936
(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
trans-(2R,4R)-4-[[benzyl(2-hydroxyethyl)amino]methyl]-2-prop-2-ynylcyclopentan-1-one
CID 159517709
2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
CID 175063335
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
(5S)-5-[[[benzyl(methyl)sulfamoyl]-(pyridin-4-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925449

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one (CID 66865389) is (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one is O=C1CC[C@H](CN(CCO)Cc2ccccc2)N1.
What is the InChIKey of (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is MNZWDYVPDQQDHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-9-8-16(10-12-4-2-1-3-5-12)11-13-6-7-14(18)15-13/h1-5,13,17H,6-11H2,(H,15,18)/t13-/m1/s1.
What are the key properties of (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one?
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 66865389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).