3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid

C9H17NO3 — CID 115017259

IUPAC3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC1(C(=O)O)CCNC1
InChIInChI=1S/C9H17NO3/c1-8(2,3)13-9(7(11)12)4-5-10-6-9/h10H,4-6H2,1-3H3,(H,11,12)
InChIKeyRADZTHGPMSCQIK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid

3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid (PubChem CID 115017259) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid
PubChem CID115017259
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC1(C(=O)O)CCNC1
InChIInChI=1S/C9H17NO3/c1-8(2,3)13-9(7(11)12)4-5-10-6-9/h10H,4-6H2,1-3H3,(H,11,12)
InChIKeyRADZTHGPMSCQIK-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid (CID 115017259) is 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid is CC(C)(C)OC1(C(=O)O)CCNC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid?
The InChIKey is RADZTHGPMSCQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2,3)13-9(7(11)12)4-5-10-6-9/h10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid?
3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115017259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).