(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide

C11H19F3N2O3 — CID 99855644

IUPAC(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
SMILESC[C@@H](O)C[C@H]1COCCN1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(17)6-9-7-19-5-4-16(9)10(18)15-3-2-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)/t8-,9+/m1/s1
InChIKeyFRTCKJRFLSIIHS-BDAKNGLRSA-N
MW284.28 g/mol
LogP1.12
Rot. Bonds4

About (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide

(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide (PubChem CID 99855644) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
PubChem CID99855644
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
SMILESC[C@@H](O)C[C@H]1COCCN1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(17)6-9-7-19-5-4-16(9)10(18)15-3-2-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)/t8-,9+/m1/s1
InChIKeyFRTCKJRFLSIIHS-BDAKNGLRSA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 99636601
(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide
CID 129429318
N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499752
N-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 86795720
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
(3S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 100907589
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 86949500
N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 127617774
N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
CID 75443356
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide (CID 99855644) is (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide is C[C@@H](O)C[C@H]1COCCN1C(=O)NCCC(F)(F)F.
What is the InChIKey of (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The InChIKey is FRTCKJRFLSIIHS-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(17)6-9-7-19-5-4-16(9)10(18)15-3-2-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)/t8-,9+/m1/s1.
What are the key properties of (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide is sourced from PubChem (CID 99855644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).