(2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol

C9H17N3O2 — CID 135132887

IUPAC(2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol
SMILESCCOCn1ccnc1C[C@@H](N)CO
InChIInChI=1S/C9H17N3O2/c1-2-14-7-12-4-3-11-9(12)5-8(10)6-13/h3-4,8,13H,2,5-7,10H2,1H3/t8-/m1/s1
InChIKeyWEVLLDCAGLHDNR-MRVPVSSYSA-N
MW199.25 g/mol
LogP-0.26
Rot. Bonds6

About (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol

(2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol (PubChem CID 135132887) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol
PubChem CID135132887
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol
SMILESCCOCn1ccnc1C[C@@H](N)CO
InChIInChI=1S/C9H17N3O2/c1-2-14-7-12-4-3-11-9(12)5-8(10)6-13/h3-4,8,13H,2,5-7,10H2,1H3/t8-/m1/s1
InChIKeyWEVLLDCAGLHDNR-MRVPVSSYSA-N
XLogP-0.26
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol (CID 135132887) is (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol is CCOCn1ccnc1C[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol?
The InChIKey is WEVLLDCAGLHDNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-14-7-12-4-3-11-9(12)5-8(10)6-13/h3-4,8,13H,2,5-7,10H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol?
(2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol has a molecular weight of 199.25 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[1-(ethoxymethyl)imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 135132887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).