4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid

C7H11F3N2O3 — CID 123198732

IUPAC4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid
SMILESNC(C(=O)NCCCC(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)5(11)6(15)12-3-1-2-4(13)14/h5H,1-3,11H2,(H,12,15)(H,13,14)
InChIKeySGJLWNGYSMGWBO-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.14
Rot. Bonds5

About 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid

4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid (PubChem CID 123198732) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid
PubChem CID123198732
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid
SMILESNC(C(=O)NCCCC(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)5(11)6(15)12-3-1-2-4(13)14/h5H,1-3,11H2,(H,12,15)(H,13,14)
InChIKeySGJLWNGYSMGWBO-UHFFFAOYSA-N
XLogP-0.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Glycylaminobutyric acid
CID 99281
4-(2,2,2-Trifluoroacetamido)butanoic acid
CID 303592
4-(Trifluoroacetamido)pentanoic acid
CID 10889230
4-Difluoromethyl-4-(1-oxoethylamino)butyric acid
CID 13050370
4-(3,3,3-Trifluoropropanoylamino)butanoic acid
CID 16773567
3-[(2-Aminoacetyl)amino]-2-fluorobutanoic acid
CID 19905130
5-Fluoro-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 20274863
3-(2-Aminopropanoylamino)-4-fluorobutanoic acid
CID 20508327
3-(2-Aminopropanoylamino)-4,4-difluorobutanoic acid
CID 20508354
4-(2-Aminopropanoylamino)-5,5-difluoropentanoic acid
CID 20543324
4-Oxo-4-(2,2,2-trifluoroethylamino)butanoic acid
CID 43396595
(4S)-5-fluoro-4-(2,2,2-trifluoroacetamido)pentanoic acid
CID 54124929

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid (CID 123198732) is 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid is NC(C(=O)NCCCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid?
The InChIKey is SGJLWNGYSMGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c8-7(9,10)5(11)6(15)12-3-1-2-4(13)14/h5H,1-3,11H2,(H,12,15)(H,13,14).
What are the key properties of 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid?
4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid has a molecular weight of 228.17 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3,3-trifluoropropanoyl)amino]butanoic acid is sourced from PubChem (CID 123198732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).