1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid

C10H13F3N2O3 — CID 106216263

IUPAC1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)9(3-4-9)14-8(18)15-5-1-2-6(15)7(16)17/h6H,1-5H2,(H,14,18)(H,16,17)
InChIKeyOZVHHVQWEUBPQS-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.34
Rot. Bonds2

About 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid

1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 106216263) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID106216263
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)9(3-4-9)14-8(18)15-5-1-2-6(15)7(16)17/h6H,1-5H2,(H,14,18)(H,16,17)
InChIKeyOZVHHVQWEUBPQS-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 106216263) is 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OZVHHVQWEUBPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c11-10(12,13)9(3-4-9)14-8(18)15-5-1-2-6(15)7(16)17/h6H,1-5H2,(H,14,18)(H,16,17).
What are the key properties of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 266.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106216263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).