4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one

C9H18N2O3 — CID 168702888

IUPAC4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCCNCCO
InChIInChI=1S/C9H18N2O3/c12-5-3-10-2-1-4-11-7-8(13)6-9(11)14/h8,10,12-13H,1-7H2
InChIKeyLQGVHJYWSHMVAI-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.45
Rot. Bonds6

About 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one

4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one (PubChem CID 168702888) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one
PubChem CID168702888
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCCNCCO
InChIInChI=1S/C9H18N2O3/c12-5-3-10-2-1-4-11-7-8(13)6-9(11)14/h8,10,12-13H,1-7H2
InChIKeyLQGVHJYWSHMVAI-UHFFFAOYSA-N
XLogP-1.45
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 168697217
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160
1-[3-(octylamino)propyl]-4-sulfanylpyrrolidin-2-one
CID 168708160
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
CID 106326869
2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506275
1-[3-(2-methylpropylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511445
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106339803
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide;methanesulfonic acid
CID 175196309
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one (CID 168702888) is 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one is O=C1CC(O)CN1CCCNCCO.
What is the InChIKey of 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one?
The InChIKey is LQGVHJYWSHMVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-5-3-10-2-1-4-11-7-8(13)6-9(11)14/h8,10,12-13H,1-7H2.
What are the key properties of 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one?
4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one has a molecular weight of 202.25 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 168702888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).