(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide

C15H24N2O3 — CID 94371199

IUPAC(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N2CCO[C@H](C(N)=O)C2)C1(C)C
InChIInChI=1S/C15H24N2O3/c1-9(2)7-10-12(15(10,3)4)14(19)17-5-6-20-11(8-17)13(16)18/h7,10-12H,5-6,8H2,1-4H3,(H2,16,18)/t10-,11+,12-/m1/s1
InChIKeyZVDRVZOVBAMGOI-GRYCIOLGSA-N
MW280.37 g/mol
LogP0.94
Rot. Bonds3

About (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide

(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide (PubChem CID 94371199) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
PubChem CID94371199
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N2CCO[C@H](C(N)=O)C2)C1(C)C
InChIInChI=1S/C15H24N2O3/c1-9(2)7-10-12(15(10,3)4)14(19)17-5-6-20-11(8-17)13(16)18/h7,10-12H,5-6,8H2,1-4H3,(H2,16,18)/t10-,11+,12-/m1/s1
InChIKeyZVDRVZOVBAMGOI-GRYCIOLGSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129328047
1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 42930403
[(3R)-1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 100838496
[(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 94609029
2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 95567679
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
CID 95600286
[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 100879654
[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 52532259
4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)morpholine-2-carboxamide
CID 49418149
[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 52532257
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413
(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
CID 124691551

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide (CID 94371199) is (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide is CC(C)=C[C@@H]1[C@H](C(=O)N2CCO[C@H](C(N)=O)C2)C1(C)C.
What is the InChIKey of (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide?
The InChIKey is ZVDRVZOVBAMGOI-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(2)7-10-12(15(10,3)4)14(19)17-5-6-20-11(8-17)13(16)18/h7,10-12H,5-6,8H2,1-4H3,(H2,16,18)/t10-,11+,12-/m1/s1.
What are the key properties of (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide?
(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 94371199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).