3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid

C10H18N2O3 — CID 67294051

IUPAC3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)NC(=O)C1CCN(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)11-8(13)7-4-5-12(6-7)9(14)15/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyMBULIIGTCAZNOB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds1

About 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid

3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 67294051) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID67294051
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)NC(=O)C1CCN(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)11-8(13)7-4-5-12(6-7)9(14)15/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyMBULIIGTCAZNOB-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 67294051) is 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid is CC(C)(C)NC(=O)C1CCN(C(=O)O)C1.
What is the InChIKey of 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is MBULIIGTCAZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)11-8(13)7-4-5-12(6-7)9(14)15/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid?
3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67294051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).