3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid

C11H17NO5 — CID 124583176

IUPAC3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid
SMILESCOC(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-17-10(16)4-7-11(6-3-9(14)15)5-2-8(13)12-11/h2-7H2,1H3,(H,12,13)(H,14,15)/t11-/m0/s1
InChIKeyUXEYRNGWAQPXCK-NSHDSACASA-N
MW243.26 g/mol
LogP0.45
Rot. Bonds6

About 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid

3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid (PubChem CID 124583176) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid
PubChem CID124583176
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid
SMILESCOC(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-17-10(16)4-7-11(6-3-9(14)15)5-2-8(13)12-11/h2-7H2,1H3,(H,12,13)(H,14,15)/t11-/m0/s1
InChIKeyUXEYRNGWAQPXCK-NSHDSACASA-N
XLogP0.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid (CID 124583176) is 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid is COC(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1.
What is the InChIKey of 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid?
The InChIKey is UXEYRNGWAQPXCK-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO5/c1-17-10(16)4-7-11(6-3-9(14)15)5-2-8(13)12-11/h2-7H2,1H3,(H,12,13)(H,14,15)/t11-/m0/s1.
What are the key properties of 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid?
3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 124583176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).