(2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid

C11H17NO5 — CID 90668204

IUPAC(2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid
SMILESCC(C)C[C@H]1CC(=O)N([C@@H](CO)C(=O)O)C1=O
InChIInChI=1S/C11H17NO5/c1-6(2)3-7-4-9(14)12(10(7)15)8(5-13)11(16)17/h6-8,13H,3-5H2,1-2H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyBVEYKSGPSFUVKT-YUMQZZPRSA-N
MW243.26 g/mol
LogP-0.15
Rot. Bonds5

About (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid

(2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid (PubChem CID 90668204) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid
PubChem CID90668204
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid
SMILESCC(C)C[C@H]1CC(=O)N([C@@H](CO)C(=O)O)C1=O
InChIInChI=1S/C11H17NO5/c1-6(2)3-7-4-9(14)12(10(7)15)8(5-13)11(16)17/h6-8,13H,3-5H2,1-2H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyBVEYKSGPSFUVKT-YUMQZZPRSA-N
XLogP-0.15
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid (CID 90668204) is (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid is CC(C)C[C@H]1CC(=O)N([C@@H](CO)C(=O)O)C1=O.
What is the InChIKey of (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid?
The InChIKey is BVEYKSGPSFUVKT-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H17NO5/c1-6(2)3-7-4-9(14)12(10(7)15)8(5-13)11(16)17/h6-8,13H,3-5H2,1-2H3,(H,16,17)/t7-,8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid?
(2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 90668204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).