(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid

C7H10N2O3 — CID 167014806

IUPAC(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)c1nccn1C
InChIInChI=1S/C7H10N2O3/c1-9-4-3-8-6(9)5(12-2)7(10)11/h3-5H,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyBRAQOLHDTKMOQL-RXMQYKEDSA-N
MW170.17 g/mol
LogP0.19
Rot. Bonds3

About (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid

(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid (PubChem CID 167014806) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
PubChem CID167014806
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)c1nccn1C
InChIInChI=1S/C7H10N2O3/c1-9-4-3-8-6(9)5(12-2)7(10)11/h3-5H,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyBRAQOLHDTKMOQL-RXMQYKEDSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
CID 26597297
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410
fluoroform;2-(1-methoxyethyl)-1-methylimidazole
CID 174709320
2-(1-methoxypropyl)-1-methylimidazole
CID 118061871
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
CID 165494326
methyl 3,4-dihydroxy-4-(1-methylimidazol-2-yl)butanoate
CID 171894999
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate
CID 167726332
[(1-methylimidazol-2-yl)-phenylmethyl] acetate
CID 20614420
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 95806845
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid?
The IUPAC name of (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid (CID 167014806) is (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid.
What is the SMILES notation for (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid?
The canonical SMILES for (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid is CO[C@@H](C(=O)O)c1nccn1C.
What is the InChIKey of (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid?
The InChIKey is BRAQOLHDTKMOQL-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-4-3-8-6(9)5(12-2)7(10)11/h3-5H,1-2H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid?
(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid has a molecular weight of 170.17 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid is sourced from PubChem (CID 167014806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).