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

C14H25F3N2O2 — CID 63909757

IUPAC2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25F3N2O2/c1-4-7-18-13(12(20)21,11-5-6-11)8-19(10(2)3)9-14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,20,21)
InChIKeyNOAALBRVSRTQDY-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.49
Rot. Bonds9

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

2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid (PubChem CID 63909757) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
PubChem CID63909757
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25F3N2O2/c1-4-7-18-13(12(20)21,11-5-6-11)8-19(10(2)3)9-14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,20,21)
InChIKeyNOAALBRVSRTQDY-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid (CID 63909757) is 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(CC(F)(F)F)C(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
The InChIKey is NOAALBRVSRTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-7-18-13(12(20)21,11-5-6-11)8-19(10(2)3)9-14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid?
2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid has a molecular weight of 310.36 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 63909757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).