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

C14H23F3N2O2 — CID 63909169

IUPAC2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H23F3N2O2/c1-9(2)18-13(12(20)21,10-3-4-10)7-19(11-5-6-11)8-14(15,16)17/h9-11,18H,3-8H2,1-2H3,(H,20,21)
InChIKeyDHGRHZGBNLLTCQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.24
Rot. Bonds8

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

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid (PubChem CID 63909169) 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-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid
PubChem CID63909169
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H23F3N2O2/c1-9(2)18-13(12(20)21,10-3-4-10)7-19(11-5-6-11)8-14(15,16)17/h9-11,18H,3-8H2,1-2H3,(H,20,21)
InChIKeyDHGRHZGBNLLTCQ-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid (CID 63909169) is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid is CC(C)NC(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-(propan-2-ylamino)propanoic acid?
The InChIKey is DHGRHZGBNLLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-9(2)18-13(12(20)21,10-3-4-10)7-19(11-5-6-11)8-14(15,16)17/h9-11,18H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid?
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid has a molecular weight of 308.34 g/mol, XLogP of 2.24, 8 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-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63909169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).