2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid

C8H13N3O2 — CID 82407203

IUPAC2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(C)CC(=O)O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-6-9-3-7(10-6)4-11(2)5-8(12)13/h3H,4-5H2,1-2H3,(H,9,10)(H,12,13)
InChIKeySTXRKNSJQJZHRA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.23
Rot. Bonds4

About 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid

2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid (PubChem CID 82407203) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
PubChem CID82407203
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(C)CC(=O)O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-6-9-3-7(10-6)4-11(2)5-8(12)13/h3H,4-5H2,1-2H3,(H,9,10)(H,12,13)
InChIKeySTXRKNSJQJZHRA-UHFFFAOYSA-N
XLogP0.23
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid (CID 82407203) is 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid is Cc1ncc(CN(C)CC(=O)O)[nH]1.
What is the InChIKey of 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The InChIKey is STXRKNSJQJZHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-9-3-7(10-6)4-11(2)5-8(12)13/h3H,4-5H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 82407203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).