oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate

C11H17N3O3 — CID 104894879

IUPACoxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@H](Cc1cnc[nH]1)C(=O)OCC1CCCO1
InChIInChI=1S/C11H17N3O3/c12-10(4-8-5-13-7-14-8)11(15)17-6-9-2-1-3-16-9/h5,7,9-10H,1-4,6,12H2,(H,13,14)/t9?,10-/m1/s1
InChIKeyXRSIAAWXWRUVRG-QVDQXJPCSA-N
MW239.27 g/mol
LogP0.00
Rot. Bonds5

About oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate

oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 104894879) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID104894879
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameoxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@H](Cc1cnc[nH]1)C(=O)OCC1CCCO1
InChIInChI=1S/C11H17N3O3/c12-10(4-8-5-13-7-14-8)11(15)17-6-9-2-1-3-16-9/h5,7,9-10H,1-4,6,12H2,(H,13,14)/t9?,10-/m1/s1
InChIKeyXRSIAAWXWRUVRG-QVDQXJPCSA-N
XLogP0.00
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropylmethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61151381
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2R)-pyrrolidine-2-carboxylate
CID 88805910
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385
(2-methylcyclohexyl) (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61277437
(2R)-3-(1H-imidazol-5-yl)-2-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 104894968
nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 87399631
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
3-(1H-imidazol-5-yl)-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61435830
(3,4-dimethylcyclohexyl) 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 64745914

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate (CID 104894879) is oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate is N[C@H](Cc1cnc[nH]1)C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is XRSIAAWXWRUVRG-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-10(4-8-5-13-7-14-8)11(15)17-6-9-2-1-3-16-9/h5,7,9-10H,1-4,6,12H2,(H,13,14)/t9?,10-/m1/s1.
What are the key properties of oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate?
oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 104894879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).