2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid

C7H11N3O3 — CID 15897872

IUPAC2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid
SMILESCc1[nH]c(N(C)CC(=O)O)nc1O
InChIInChI=1S/C7H11N3O3/c1-4-6(13)9-7(8-4)10(2)3-5(11)12/h13H,3H2,1-2H3,(H,8,9)(H,11,12)
InChIKeyNVRRLBKLDDTMTB-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid

2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid (PubChem CID 15897872) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid
PubChem CID15897872
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid
SMILESCc1[nH]c(N(C)CC(=O)O)nc1O
InChIInChI=1S/C7H11N3O3/c1-4-6(13)9-7(8-4)10(2)3-5(11)12/h13H,3H2,1-2H3,(H,8,9)(H,11,12)
InChIKeyNVRRLBKLDDTMTB-UHFFFAOYSA-N
XLogP-0.06
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid (CID 15897872) is 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid is Cc1[nH]c(N(C)CC(=O)O)nc1O.
What is the InChIKey of 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid?
The InChIKey is NVRRLBKLDDTMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-6(13)9-7(8-4)10(2)3-5(11)12/h13H,3H2,1-2H3,(H,8,9)(H,11,12).
What are the key properties of 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid?
2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-5-methyl-1H-imidazol-2-yl)-methylamino]acetic acid is sourced from PubChem (CID 15897872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).