1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one

C14H20N2O3 — CID 66515853

IUPAC1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESN[C@@H](CO)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C14H20N2O3/c15-12(10-17)11-4-1-2-5-13(11)19-9-8-16-7-3-6-14(16)18/h1-2,4-5,12,17H,3,6-10,15H2/t12-/m0/s1
InChIKeyMVJCBMVAYGCDIP-LBPRGKRZSA-N
MW264.32 g/mol
LogP0.68
Rot. Bonds6

About 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 66515853) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID66515853
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESN[C@@H](CO)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C14H20N2O3/c15-12(10-17)11-4-1-2-5-13(11)19-9-8-16-7-3-6-14(16)18/h1-2,4-5,12,17H,3,6-10,15H2/t12-/m0/s1
InChIKeyMVJCBMVAYGCDIP-LBPRGKRZSA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62019351
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1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
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1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
1-[2-(6-pyridin-2-ylpyridazin-3-yl)oxyethyl]pyrrolidin-2-one
CID 130251387

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one (CID 66515853) is 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one is N[C@@H](CO)c1ccccc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is MVJCBMVAYGCDIP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12(10-17)11-4-1-2-5-13(11)19-9-8-16-7-3-6-14(16)18/h1-2,4-5,12,17H,3,6-10,15H2/t12-/m0/s1.
What are the key properties of 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 66515853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).