2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid

C9H15N3O2 — CID 61493400

IUPAC2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
SMILESCc1nccn1CCN(C)CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-8-10-3-4-12(8)6-5-11(2)7-9(13)14/h3-4H,5-7H2,1-2H3,(H,13,14)
InChIKeyUGURKFMGSQHGFK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.21
Rot. Bonds5

About 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid

2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid (PubChem CID 61493400) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
PubChem CID61493400
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
SMILESCc1nccn1CCN(C)CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-8-10-3-4-12(8)6-5-11(2)7-9(13)14/h3-4H,5-7H2,1-2H3,(H,13,14)
InChIKeyUGURKFMGSQHGFK-UHFFFAOYSA-N
XLogP0.21
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid (CID 61493400) is 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid is Cc1nccn1CCN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
The InChIKey is UGURKFMGSQHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-8-10-3-4-12(8)6-5-11(2)7-9(13)14/h3-4H,5-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid?
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 61493400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).