2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid

C14H23F3N2O2 — CID 63909168

IUPAC2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H23F3N2O2/c1-2-7-18-13(12(20)21,10-3-4-10)8-19(11-5-6-11)9-14(15,16)17/h10-11,18H,2-9H2,1H3,(H,20,21)
InChIKeyUUSQFVMMXICILL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.25
Rot. Bonds9

About 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid (PubChem CID 63909168) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
PubChem CID63909168
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H23F3N2O2/c1-2-7-18-13(12(20)21,10-3-4-10)8-19(11-5-6-11)9-14(15,16)17/h10-11,18H,2-9H2,1H3,(H,20,21)
InChIKeyUUSQFVMMXICILL-UHFFFAOYSA-N
XLogP2.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate
CID 63909759
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanenitrile
CID 63914201
methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63910356
2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910540
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 63909146
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
CID 62271774
2-cyclopropyl-3-(N,4-dimethylanilino)-2-(propylamino)propanoic acid
CID 63927007
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63906996
2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid
CID 82959915

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid (CID 63909168) is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
The InChIKey is UUSQFVMMXICILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-2-7-18-13(12(20)21,10-3-4-10)8-19(11-5-6-11)9-14(15,16)17/h10-11,18H,2-9H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid has a molecular weight of 308.34 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 63909168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).