2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid

C9H15N3O2 — CID 66133106

IUPAC2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
SMILESCCn1cncc1C(C(=O)O)N(C)C
InChIInChI=1S/C9H15N3O2/c1-4-12-6-10-5-7(12)8(9(13)14)11(2)3/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyZOBJPMBNRNUQKO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.59
Rot. Bonds4

About 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid

2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid (PubChem CID 66133106) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
PubChem CID66133106
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
SMILESCCn1cncc1C(C(=O)O)N(C)C
InChIInChI=1S/C9H15N3O2/c1-4-12-6-10-5-7(12)8(9(13)14)11(2)3/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyZOBJPMBNRNUQKO-UHFFFAOYSA-N
XLogP0.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid (CID 66133106) is 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid is CCn1cncc1C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid?
The InChIKey is ZOBJPMBNRNUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-12-6-10-5-7(12)8(9(13)14)11(2)3/h5-6,8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid?
2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid is sourced from PubChem (CID 66133106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).