(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide

C13H22F3N3O2 — CID 97238203

IUPAC(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(CCC(F)(F)F)C1CCC1
InChIInChI=1S/C13H22F3N3O2/c1-3-17-12(21)18-11(20)9(2)19(10-5-4-6-10)8-7-13(14,15)16/h9-10H,3-8H2,1-2H3,(H2,17,18,20,21)/t9-/m0/s1
InChIKeyBWGIYQFHXWSBOE-VIFPVBQESA-N
MW309.33 g/mol
LogP2.03
Rot. Bonds6

About (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide

(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide (PubChem CID 97238203) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide
PubChem CID97238203
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(CCC(F)(F)F)C1CCC1
InChIInChI=1S/C13H22F3N3O2/c1-3-17-12(21)18-11(20)9(2)19(10-5-4-6-10)8-7-13(14,15)16/h9-10H,3-8H2,1-2H3,(H2,17,18,20,21)/t9-/m0/s1
InChIKeyBWGIYQFHXWSBOE-VIFPVBQESA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide (CID 97238203) is (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@H](C)N(CCC(F)(F)F)C1CCC1.
What is the InChIKey of (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is BWGIYQFHXWSBOE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-3-17-12(21)18-11(20)9(2)19(10-5-4-6-10)8-7-13(14,15)16/h9-10H,3-8H2,1-2H3,(H2,17,18,20,21)/t9-/m0/s1.
What are the key properties of (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide?
(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 309.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 97238203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).