N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide

C15H25N5O4 — CID 75536761

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)N2CCOCC2)[C@H]1O
InChIInChI=1S/C15H25N5O4/c1-19-3-2-16-13(19)9-17-11-10-24-12(14(11)21)8-18-15(22)20-4-6-23-7-5-20/h2-3,11-12,14,17,21H,4-10H2,1H3,(H,18,22)/t11-,12-,14+/m1/s1
InChIKeyIPMCRNJLEPXJOI-BZPMIXESSA-N
MW339.40 g/mol
LogP-1.32
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 75536761) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID75536761
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)N2CCOCC2)[C@H]1O
InChIInChI=1S/C15H25N5O4/c1-19-3-2-16-13(19)9-17-11-10-24-12(14(11)21)8-18-15(22)20-4-6-23-7-5-20/h2-3,11-12,14,17,21H,4-10H2,1H3,(H,18,22)/t11-,12-,14+/m1/s1
InChIKeyIPMCRNJLEPXJOI-BZPMIXESSA-N
XLogP-1.32
TPSA100.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide (CID 75536761) is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide is Cn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)N2CCOCC2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is IPMCRNJLEPXJOI-BZPMIXESSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-19-3-2-16-13(19)9-17-11-10-24-12(14(11)21)8-18-15(22)20-4-6-23-7-5-20/h2-3,11-12,14,17,21H,4-10H2,1H3,(H,18,22)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of -1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75536761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).