4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid

C8H15NO3 — CID 71435178

IUPAC4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(O)C1CNC(C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-8(2,12)5-3-6(7(10)11)9-4-5/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyCEVKICMBZZNYAE-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.18
Rot. Bonds2

About 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid

4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 71435178) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID71435178
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(O)C1CNC(C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-8(2,12)5-3-6(7(10)11)9-4-5/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyCEVKICMBZZNYAE-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid (CID 71435178) is 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid is CC(C)(O)C1CNC(C(=O)O)C1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is CEVKICMBZZNYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,12)5-3-6(7(10)11)9-4-5/h5-6,9,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid?
4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71435178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).