N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide

C14H23N5O4 — CID 75536760

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)N1CCOCC1
InChIInChI=1S/C14H23N5O4/c20-13-10(17-8-12-15-1-2-16-12)9-23-11(13)7-18-14(21)19-3-5-22-6-4-19/h1-2,10-11,13,17,20H,3-9H2,(H,15,16)(H,18,21)/t10-,11-,13+/m1/s1
InChIKeyQXKDQSQQAWSONM-WZRBSPASSA-N
MW325.37 g/mol
LogP-1.33
Rot. Bonds5

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

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 75536760) has the molecular formula C14H23N5O4 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID75536760
Molecular FormulaC14H23N5O4
Molecular Weight325.37 g/mol
Exact Mass325.18
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)N1CCOCC1
InChIInChI=1S/C14H23N5O4/c20-13-10(17-8-12-15-1-2-16-12)9-23-11(13)7-18-14(21)19-3-5-22-6-4-19/h1-2,10-11,13,17,20H,3-9H2,(H,15,16)(H,18,21)/t10-,11-,13+/m1/s1
InChIKeyQXKDQSQQAWSONM-WZRBSPASSA-N
XLogP-1.33
TPSA111.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide (CID 75536760) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)N1CCOCC1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is QXKDQSQQAWSONM-WZRBSPASSA-N. The full InChI is InChI=1S/C14H23N5O4/c20-13-10(17-8-12-15-1-2-16-12)9-23-11(13)7-18-14(21)19-3-5-22-6-4-19/h1-2,10-11,13,17,20H,3-9H2,(H,15,16)(H,18,21)/t10-,11-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of -1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75536760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).