4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid

C10H15F3N2O4 — CID 120874268

IUPAC4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)9(19)3-5-15(6-9)8(18)14-4-1-2-7(16)17/h19H,1-6H2,(H,14,18)(H,16,17)
InChIKeySTRNWEUHENBZGM-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.56
Rot. Bonds4

About 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid

4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid (PubChem CID 120874268) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
PubChem CID120874268
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)9(19)3-5-15(6-9)8(18)14-4-1-2-7(16)17/h19H,1-6H2,(H,14,18)(H,16,17)
InChIKeySTRNWEUHENBZGM-UHFFFAOYSA-N
XLogP0.56
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic 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

4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 120874267
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
CID 130524196
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
4-[[2,2,6-trimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021975
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 97012914
3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333364
4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]butanoic acid
CID 114490438
N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
CID 112737624
4-[[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022016
2-tert-butylsulfonyl-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 99698290
N-[(5-cyano-2-fluorophenyl)methyl]-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155949818

Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid (CID 120874268) is 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The InChIKey is STRNWEUHENBZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)9(19)3-5-15(6-9)8(18)14-4-1-2-7(16)17/h19H,1-6H2,(H,14,18)(H,16,17).
What are the key properties of 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid has a molecular weight of 284.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120874268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).