(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C14H24F3N3O3 — CID 124854101

IUPAC(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C14H24F3N3O3/c1-4-9(2)18-12(21)10(3)19-13(22)11-7-23-6-5-20(11)8-14(15,16)17/h9-11H,4-8H2,1-3H3,(H,18,21)(H,19,22)/t9-,10-,11+/m0/s1
InChIKeyWPCGAGFCHPJEMM-GARJFASQSA-N
MW339.36 g/mol
LogP0.67
Rot. Bonds6

About (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 124854101) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID124854101
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Name(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C14H24F3N3O3/c1-4-9(2)18-12(21)10(3)19-13(22)11-7-23-6-5-20(11)8-14(15,16)17/h9-11H,4-8H2,1-3H3,(H,18,21)(H,19,22)/t9-,10-,11+/m0/s1
InChIKeyWPCGAGFCHPJEMM-GARJFASQSA-N
XLogP0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(2-carbamothioyl-3,3,3-trifluoropropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103368813
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ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
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CID 107446496
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4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 124854101) is (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1COCCN1CC(F)(F)F.
What is the InChIKey of (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is WPCGAGFCHPJEMM-GARJFASQSA-N. The full InChI is InChI=1S/C14H24F3N3O3/c1-4-9(2)18-12(21)10(3)19-13(22)11-7-23-6-5-20(11)8-14(15,16)17/h9-11H,4-8H2,1-3H3,(H,18,21)(H,19,22)/t9-,10-,11+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 124854101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).