3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid

C10H17N3O3 — CID 103247006

IUPAC3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid
SMILESCOCC(NCCc1nccn1C)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-13-6-5-12-9(13)3-4-11-8(7-16-2)10(14)15/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyAUSJQFIBIVJNHD-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.35
Rot. Bonds7

About 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid

3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid (PubChem CID 103247006) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid
PubChem CID103247006
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid
SMILESCOCC(NCCc1nccn1C)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-13-6-5-12-9(13)3-4-11-8(7-16-2)10(14)15/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyAUSJQFIBIVJNHD-UHFFFAOYSA-N
XLogP-0.35
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid
CID 103251264
ethyl 2-[2-(1-methylimidazol-2-yl)ethylamino]butanoate
CID 64669742
3-methoxy-2-[(1-methylimidazol-2-yl)amino]propanoic acid
CID 81078507
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
CID 114114925
(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78977343
3-methoxy-4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 103159174
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
N'-hydroxy-2-[2-(1-methylimidazol-2-yl)ethylamino]butanimidamide
CID 77031327
4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 64890881
3-amino-4-methoxy-1-(1-methylimidazol-2-yl)butan-2-one
CID 116594114

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid (CID 103247006) is 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid is COCC(NCCc1nccn1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid?
The InChIKey is AUSJQFIBIVJNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-13-6-5-12-9(13)3-4-11-8(7-16-2)10(14)15/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid?
3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid is sourced from PubChem (CID 103247006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).