3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid

C9H12F3NO3 — CID 60846253

IUPAC3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)5-7(14)13(6-1-2-6)4-3-8(15)16/h6H,1-5H2,(H,15,16)
InChIKeyNUGOCLHUCDIACD-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.40
Rot. Bonds5

About 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid

3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid (PubChem CID 60846253) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
PubChem CID60846253
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)5-7(14)13(6-1-2-6)4-3-8(15)16/h6H,1-5H2,(H,15,16)
InChIKeyNUGOCLHUCDIACD-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]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-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61000945
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
3-[Tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60827462
3-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60830207
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60839696
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60840497
3-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
CID 60844904
3-[Cyclopropyl(2,2-difluoroethyl)amino]propanoic acid
CID 60922418
3-[2,2-Difluoroethyl(propan-2-yl)amino]propanoic acid
CID 60922807
3-[Methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60988390
3-(n-Cyclopropyl-2,2,2-trifluoroacetamido)propanoic acid
CID 60999862
3-(2,2,2-Trifluoro-n-isopropylacetamido)propanoic acid
CID 61000336

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid (CID 60846253) is 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid is O=C(O)CCN(C(=O)CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The InChIKey is NUGOCLHUCDIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c10-9(11,12)5-7(14)13(6-1-2-6)4-3-8(15)16/h6H,1-5H2,(H,15,16).
What are the key properties of 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid has a molecular weight of 239.19 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid is sourced from PubChem (CID 60846253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).