2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide

C7H12N2O3 — CID 54458868

IUPAC2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC(O)C1=O
InChIInChI=1S/C7H12N2O3/c1-4(6(8)11)9-3-2-5(10)7(9)12/h4-5,10H,2-3H2,1H3,(H2,8,11)
InChIKeyXAEPIKNPGCWJHJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.55
Rot. Bonds2

About 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide

2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide (PubChem CID 54458868) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide
PubChem CID54458868
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC(O)C1=O
InChIInChI=1S/C7H12N2O3/c1-4(6(8)11)9-3-2-5(10)7(9)12/h4-5,10H,2-3H2,1H3,(H2,8,11)
InChIKeyXAEPIKNPGCWJHJ-UHFFFAOYSA-N
XLogP-1.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide (CID 54458868) is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide is CC(C(N)=O)N1CCC(O)C1=O.
What is the InChIKey of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is XAEPIKNPGCWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(6(8)11)9-3-2-5(10)7(9)12/h4-5,10H,2-3H2,1H3,(H2,8,11).
What are the key properties of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide?
2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 172.18 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 54458868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).