3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid

C15H18F3N3O3 — CID 122010699

IUPAC3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)11-3-1-2-4-12(11)21-8-6-10(9-21)20-14(24)19-7-5-13(22)23/h1-4,10H,5-9H2,(H,22,23)(H2,19,20,24)
InChIKeyAMSQTSWFJFCWJM-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.06
Rot. Bonds5

About 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid

3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid (PubChem CID 122010699) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid
PubChem CID122010699
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)11-3-1-2-4-12(11)21-8-6-10(9-21)20-14(24)19-7-5-13(22)23/h1-4,10H,5-9H2,(H,22,23)(H2,19,20,24)
InChIKeyAMSQTSWFJFCWJM-UHFFFAOYSA-N
XLogP2.06
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-Methylphenyl)carbamoylamino]propanoic acid
CID 28510811
N-(1-benzyl-5-oxopyrrolidin-3-yl)-N'-(2,4-difluorophenyl)urea
CID 3237089
N-[2-(1-pyrrolidinyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]urea
CID 6621579
1-(1-Cyclopentyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 20890974
1-(2-Methylphenyl)-2,5-dioxo-4-imidazolidineacetic acid
CID 3047049
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2351875
3-({[2-(Trifluoromethyl)anilino]carbothioyl}amino)propanoic acid
CID 2730331
1-(1-Benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 6623174
(S)-1-phenyl-4-{3-[p-(trifluoromethyl)phenyl]ureido}-2-pyrrolidinone
CID 7513460
1-(4-Fluorobenzyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 16819672
1-(5-Oxo-1-phenylpyrrolidin-3-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 18564072
1-(1-Cyclopentyl-5-oxopyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 49866254

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid (CID 122010699) is 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)NC1CCN(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid?
The InChIKey is AMSQTSWFJFCWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)11-3-1-2-4-12(11)21-8-6-10(9-21)20-14(24)19-7-5-13(22)23/h1-4,10H,5-9H2,(H,22,23)(H2,19,20,24).
What are the key properties of 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid?
3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid has a molecular weight of 345.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122010699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).