2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H15F3N2O3 — CID 79799108

IUPAC2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)CCNC1CC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)4-5-14-6-2-3-6/h6,14H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyPICMSMOPOUFEPY-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.65
Rot. Bonds6

About 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79799108) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79799108
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)CCNC1CC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)4-5-14-6-2-3-6/h6,14H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyPICMSMOPOUFEPY-UHFFFAOYSA-N
XLogP0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic 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-(cyclopropylamino)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 60841584
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788605
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62519982
4-(cyclobutylamino)-2,2-dimethylbutanoic acid
CID 115221054
2-(3-cyclopentylpropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 106005369
2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106239078
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
3,3,3-trifluoro-2-methyl-2-(propylcarbamoylamino)propanoic acid
CID 79793400
N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 112688507
3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 106292266
2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792259

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79799108) is 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)CCNC1CC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is PICMSMOPOUFEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)4-5-14-6-2-3-6/h6,14H,2-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 268.23 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79799108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).