1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H14F3N3O4 — CID 63708714

IUPAC1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1)C(N)=O
InChIInChI=1S/C10H14F3N3O4/c1-5(6(14)17)15-8(20)16-3-2-9(4-16,7(18)19)10(11,12)13/h5H,2-4H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyXKRUJKNOSHRFLC-UHFFFAOYSA-N
MW297.23 g/mol
LogP-0.09
Rot. Bonds3

About 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708714) has the molecular formula C10H14F3N3O4 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708714
Molecular FormulaC10H14F3N3O4
Molecular Weight297.23 g/mol
Exact Mass297.09
IUPAC Name1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1)C(N)=O
InChIInChI=1S/C10H14F3N3O4/c1-5(6(14)17)15-8(20)16-3-2-9(4-16,7(18)19)10(11,12)13/h5H,2-4H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyXKRUJKNOSHRFLC-UHFFFAOYSA-N
XLogP-0.09
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708714) is 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC(NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1)C(N)=O.
What is the InChIKey of 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XKRUJKNOSHRFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O4/c1-5(6(14)17)15-8(20)16-3-2-9(4-16,7(18)19)10(11,12)13/h5H,2-4H2,1H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-1-oxopropan-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).