N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde

C20H32F3N3O8 — CID 158221455

IUPACN-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.O=C(NC1CC1)C1CNCCO1.O=CC(F)(F)F
InChIInChI=1S/C10H17NO5.C8H14N2O2.C2HF3O/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;11-8(10-6-1-2-6)7-5-9-3-4-12-7;3-2(4,5)1-6/h7H,4-6H2,1-3H3,(H,12,13);6-7,9H,1-5H2,(H,10,11);1H
InChIKeyGDHGKSOQWPLSGB-UHFFFAOYSA-N
MW499.48 g/mol
LogP0.71
Rot. Bonds3

About N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde

N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 158221455) has the molecular formula C20H32F3N3O8 and a molecular weight of 499.48 g/mol. Its IUPAC name is N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound NameN-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
PubChem CID158221455
Molecular FormulaC20H32F3N3O8
Molecular Weight499.48 g/mol
Exact Mass499.21
IUPAC NameN-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.O=C(NC1CC1)C1CNCCO1.O=CC(F)(F)F
InChIInChI=1S/C10H17NO5.C8H14N2O2.C2HF3O/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;11-8(10-6-1-2-6)7-5-9-3-4-12-7;3-2(4,5)1-6/h7H,4-6H2,1-3H3,(H,12,13);6-7,9H,1-5H2,(H,10,11);1H
InChIKeyGDHGKSOQWPLSGB-UHFFFAOYSA-N
XLogP0.71
TPSA143.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.48
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate;deuterioethane;methane;1,4-oxazepan-6-ol;2,2,2-trifluoroacetaldehyde
CID 158254476
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
tert-butyl (5aR,9aR)-3,4,5,5a,6,7,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine-8-carboxylate
CID 124703831
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
(3S)-N-cyclopropyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide;(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 159796721
N-(1-cyclohexylpiperidin-4-yl)morpholine-2-carboxamide
CID 119895208
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide
CID 119818298
N-(4-ethylcyclohexyl)morpholine-2-carboxamide;hydrochloride
CID 119716179
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
CID 67289806
ethane;morpholine-2-carboxylic acid
CID 170608685

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The IUPAC name of N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde (CID 158221455) is N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1.O=C(NC1CC1)C1CNCCO1.O=CC(F)(F)F.
What is the InChIKey of N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The InChIKey is GDHGKSOQWPLSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5.C8H14N2O2.C2HF3O/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13;11-8(10-6-1-2-6)7-5-9-3-4-12-7;3-2(4,5)1-6/h7H,4-6H2,1-3H3,(H,12,13);6-7,9H,1-5H2,(H,10,11);1H.
What are the key properties of N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 499.48 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158221455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).