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

C10H20N2O3 — CID 3340970

IUPAC1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCC(O)CO
InChIInChI=1S/C10H20N2O3/c13-8-9(14)7-11-4-2-6-12-5-1-3-10(12)15/h9,11,13-14H,1-8H2
InChIKeyQGHHITJNKLEOJT-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.06
Rot. Bonds7

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

1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one (PubChem CID 3340970) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one
PubChem CID3340970
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCC(O)CO
InChIInChI=1S/C10H20N2O3/c13-8-9(14)7-11-4-2-6-12-5-1-3-10(12)15/h9,11,13-14H,1-8H2
InChIKeyQGHHITJNKLEOJT-UHFFFAOYSA-N
XLogP-1.06
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.06
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one (CID 3340970) is 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCC(O)CO.
What is the InChIKey of 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one?
The InChIKey is QGHHITJNKLEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c13-8-9(14)7-11-4-2-6-12-5-1-3-10(12)15/h9,11,13-14H,1-8H2.
What are the key properties of 1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one?
1-[3-(2,3-dihydroxypropylamino)propyl]pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of -1.06, 7 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)propyl]pyrrolidin-2-one is sourced from PubChem (CID 3340970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).