3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one

C10H20N2O3 — CID 54297808

IUPAC3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one
SMILESCC(O)CC(=O)N1CCC(NCCO)C1
InChIInChI=1S/C10H20N2O3/c1-8(14)6-10(15)12-4-2-9(7-12)11-3-5-13/h8-9,11,13-14H,2-7H2,1H3
InChIKeySBZUVBSQPBPRNK-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.06
Rot. Bonds5

About 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one

3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one (PubChem CID 54297808) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one
PubChem CID54297808
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one
SMILESCC(O)CC(=O)N1CCC(NCCO)C1
InChIInChI=1S/C10H20N2O3/c1-8(14)6-10(15)12-4-2-9(7-12)11-3-5-13/h8-9,11,13-14H,2-7H2,1H3
InChIKeySBZUVBSQPBPRNK-UHFFFAOYSA-N
XLogP-1.06
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one (CID 54297808) is 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one is CC(O)CC(=O)N1CCC(NCCO)C1.
What is the InChIKey of 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one?
The InChIKey is SBZUVBSQPBPRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(14)6-10(15)12-4-2-9(7-12)11-3-5-13/h8-9,11,13-14H,2-7H2,1H3.
What are the key properties of 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one?
3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one has a molecular weight of 216.28 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 54297808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).