3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid

C10H17NO3 — CID 68858116

IUPAC3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid
SMILESC=CC(C)(C)C1(O)CCN(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-4-9(2,3)10(14)5-6-11(7-10)8(12)13/h4,14H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyNSDBGDJRWHXAMI-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.31
Rot. Bonds2

About 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid

3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 68858116) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID68858116
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid
SMILESC=CC(C)(C)C1(O)CCN(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-4-9(2,3)10(14)5-6-11(7-10)8(12)13/h4,14H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyNSDBGDJRWHXAMI-UHFFFAOYSA-N
XLogP1.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid (CID 68858116) is 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid is C=CC(C)(C)C1(O)CCN(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is NSDBGDJRWHXAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-9(2,3)10(14)5-6-11(7-10)8(12)13/h4,14H,1,5-7H2,2-3H3,(H,12,13).
What are the key properties of 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid?
3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methylbut-3-en-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68858116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).