(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide

C12H20N4O2 — CID 120939612

IUPAC(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C12H20N4O2/c1-9(7-16-5-3-13-8-16)15-12(17)11-10(2)18-6-4-14-11/h3,5,8-11,14H,4,6-7H2,1-2H3,(H,15,17)/t9?,10-,11+/m1/s1
InChIKeyFAMTUUIHJDQLGR-ZOCYIJKUSA-N
MW252.32 g/mol
LogP-0.24
Rot. Bonds4

About (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide (PubChem CID 120939612) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
PubChem CID120939612
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C12H20N4O2/c1-9(7-16-5-3-13-8-16)15-12(17)11-10(2)18-6-4-14-11/h3,5,8-11,14H,4,6-7H2,1-2H3,(H,15,17)/t9?,10-,11+/m1/s1
InChIKeyFAMTUUIHJDQLGR-ZOCYIJKUSA-N
XLogP-0.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
CID 119856885
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
methyl 3-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate
CID 120920090
(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
CID 120941925
(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120942758
N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120925805

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide (CID 120939612) is (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide is CC(Cn1ccnc1)NC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide?
The InChIKey is FAMTUUIHJDQLGR-ZOCYIJKUSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(7-16-5-3-13-8-16)15-12(17)11-10(2)18-6-4-14-11/h3,5,8-11,14H,4,6-7H2,1-2H3,(H,15,17)/t9?,10-,11+/m1/s1.
What are the key properties of (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120939612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).