3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid

C9H15NO4 — CID 90992619

IUPAC3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C=O)C1(O)CCN(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-8(2,6-11)9(14)3-4-10(5-9)7(12)13/h6,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyNIXWDQRHKAYVEX-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.33
Rot. Bonds2

About 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid

3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 90992619) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID90992619
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C=O)C1(O)CCN(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-8(2,6-11)9(14)3-4-10(5-9)7(12)13/h6,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyNIXWDQRHKAYVEX-UHFFFAOYSA-N
XLogP0.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid (CID 90992619) is 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid is CC(C)(C=O)C1(O)CCN(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is NIXWDQRHKAYVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-8(2,6-11)9(14)3-4-10(5-9)7(12)13/h6,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid?
3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90992619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).