[(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate

C7H11NO4 — CID 126987704

IUPAC[(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C7H11NO4/c1-4(9)7(11)12-5-2-3-8-6(5)10/h4-5,9H,2-3H2,1H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyHSYZXBMHSNEITA-UHNVWZDZSA-N
MW173.17 g/mol
LogP-1.20
Rot. Bonds2

About [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate

[(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate (PubChem CID 126987704) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Name[(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate
PubChem CID126987704
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name[(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C7H11NO4/c1-4(9)7(11)12-5-2-3-8-6(5)10/h4-5,9H,2-3H2,1H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyHSYZXBMHSNEITA-UHNVWZDZSA-N
XLogP-1.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate?
The IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate (CID 126987704) is [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate.
What is the SMILES notation for [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate?
The canonical SMILES for [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate is C[C@@H](O)C(=O)O[C@H]1CCNC1=O.
What is the InChIKey of [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate?
The InChIKey is HSYZXBMHSNEITA-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(9)7(11)12-5-2-3-8-6(5)10/h4-5,9H,2-3H2,1H3,(H,8,10)/t4-,5+/m1/s1.
What are the key properties of [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate?
[(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate has a molecular weight of 173.17 g/mol, XLogP of -1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopyrrolidin-3-yl] (2R)-2-hydroxypropanoate is sourced from PubChem (CID 126987704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).