(2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol

C10H17N3O2 — CID 118527496

IUPAC(2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol
SMILESCC1C[C@H](O)[C@@H](CNCc2cnc[nH]2)O1
InChIInChI=1S/C10H17N3O2/c1-7-2-9(14)10(15-7)5-11-3-8-4-12-6-13-8/h4,6-7,9-11,14H,2-3,5H2,1H3,(H,12,13)/t7?,9-,10+/m0/s1
InChIKeyVOVWZYNJRZEHNH-VYDKEIKOSA-N
MW211.26 g/mol
LogP0.04
Rot. Bonds4

About (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol

(2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol (PubChem CID 118527496) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol
PubChem CID118527496
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol
SMILESCC1C[C@H](O)[C@@H](CNCc2cnc[nH]2)O1
InChIInChI=1S/C10H17N3O2/c1-7-2-9(14)10(15-7)5-11-3-8-4-12-6-13-8/h4,6-7,9-11,14H,2-3,5H2,1H3,(H,12,13)/t7?,9-,10+/m0/s1
InChIKeyVOVWZYNJRZEHNH-VYDKEIKOSA-N
XLogP0.04
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol?
The IUPAC name of (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol (CID 118527496) is (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol?
The canonical SMILES for (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol is CC1C[C@H](O)[C@@H](CNCc2cnc[nH]2)O1.
What is the InChIKey of (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol?
The InChIKey is VOVWZYNJRZEHNH-VYDKEIKOSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-2-9(14)10(15-7)5-11-3-8-4-12-6-13-8/h4,6-7,9-11,14H,2-3,5H2,1H3,(H,12,13)/t7?,9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol?
(2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol has a molecular weight of 211.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol is sourced from PubChem (CID 118527496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).