(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide

C13H24N2O2 — CID 120937497

IUPAC(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
SMILESCCCC1(CNC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C13H24N2O2/c1-3-4-13(5-6-13)9-15-12(16)11-10(2)17-8-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyYRHWZELGZMRUDL-MNOVXSKESA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds5

About (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide (PubChem CID 120937497) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
PubChem CID120937497
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
SMILESCCCC1(CNC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C13H24N2O2/c1-3-4-13(5-6-13)9-15-12(16)11-10(2)17-8-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyYRHWZELGZMRUDL-MNOVXSKESA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide
CID 120926207
N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
CID 164604257
N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]formamide
CID 170758203
2-morpholin-4-yl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938704
N-(2,2-dimethyl-4-oxohexan-3-yl)-2-morpholin-4-ylacetamide
CID 68277688
N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
CID 103966646
N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide
CID 140644022
Potassium 1-[4-(aminomethyl)piperidin-1-yl]-3-methoxy-2-(oxomethylamino)butan-1-one
CID 164603925
N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide
CID 164604988
N-(1-amino-3-methyl-1-oxopentan-2-yl)morpholine-3-carboxamide
CID 167218284
N-[1-[4-(aminomethyl)piperidin-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylpropanamide
CID 170757961
N-[(2S,3R)-1-(6-azaspiro[2.5]octan-6-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170758609

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide (CID 120937497) is (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide is CCCC1(CNC(=O)[C@H]2NCCO[C@@H]2C)CC1.
What is the InChIKey of (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide?
The InChIKey is YRHWZELGZMRUDL-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-13(5-6-13)9-15-12(16)11-10(2)17-8-7-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120937497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).