2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid

C14H25F3N2O2 — CID 63909758

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C)NC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25F3N2O2/c1-9(2)18-13(12(20)21,11-5-6-11)7-19(10(3)4)8-14(15,16)17/h9-11,18H,5-8H2,1-4H3,(H,20,21)
InChIKeyHPGWSHWNNRNAEK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.49
Rot. Bonds8

About 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid

2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63909758) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63909758
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C)NC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25F3N2O2/c1-9(2)18-13(12(20)21,11-5-6-11)7-19(10(3)4)8-14(15,16)17/h9-11,18H,5-8H2,1-4H3,(H,20,21)
InChIKeyHPGWSHWNNRNAEK-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63909758) is 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is CC(C)NC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is HPGWSHWNNRNAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-9(2)18-13(12(20)21,11-5-6-11)7-19(10(3)4)8-14(15,16)17/h9-11,18H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 310.36 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63909758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).