2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid

C8H13N3O2 — CID 82407276

IUPAC2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
SMILESCN(CCc1ncc[nH]1)CC(=O)O
InChIInChI=1S/C8H13N3O2/c1-11(6-8(12)13)5-2-7-9-3-4-10-7/h3-4H,2,5-6H2,1H3,(H,9,10)(H,12,13)
InChIKeyQBRLVOAZWSRZPT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.03
Rot. Bonds5

About 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid

2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid (PubChem CID 82407276) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
PubChem CID82407276
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
SMILESCN(CCc1ncc[nH]1)CC(=O)O
InChIInChI=1S/C8H13N3O2/c1-11(6-8(12)13)5-2-7-9-3-4-10-7/h3-4H,2,5-6H2,1H3,(H,9,10)(H,12,13)
InChIKeyQBRLVOAZWSRZPT-UHFFFAOYSA-N
XLogP-0.03
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid (CID 82407276) is 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid is CN(CCc1ncc[nH]1)CC(=O)O.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid?
The InChIKey is QBRLVOAZWSRZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11(6-8(12)13)5-2-7-9-3-4-10-7/h3-4H,2,5-6H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid?
2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid has a molecular weight of 183.21 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 82407276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).