1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one

C13H18N2O3 — CID 168597538

IUPAC1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NCC(O)CO)c1
InChIInChI=1S/C13H18N2O3/c16-9-12(17)8-14-10-3-1-4-11(7-10)15-6-2-5-13(15)18/h1,3-4,7,12,14,16-17H,2,5-6,8-9H2
InChIKeyAOEWLJVWKZQVPD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.58
Rot. Bonds5

About 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one

1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one (PubChem CID 168597538) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
PubChem CID168597538
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NCC(O)CO)c1
InChIInChI=1S/C13H18N2O3/c16-9-12(17)8-14-10-3-1-4-11(7-10)15-6-2-5-13(15)18/h1,3-4,7,12,14,16-17H,2,5-6,8-9H2
InChIKeyAOEWLJVWKZQVPD-UHFFFAOYSA-N
XLogP0.58
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one
CID 168594537
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]pyrrolidine-2,5-dione
CID 168638644
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
3-[3-(2,5-dimethylpyrrol-1-yl)anilino]propane-1,2-diol
CID 168593844
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one (CID 168597538) is 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(NCC(O)CO)c1.
What is the InChIKey of 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one?
The InChIKey is AOEWLJVWKZQVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-9-12(17)8-14-10-3-1-4-11(7-10)15-6-2-5-13(15)18/h1,3-4,7,12,14,16-17H,2,5-6,8-9H2.
What are the key properties of 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one?
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168597538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).