2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid

C10H11N3O2S — CID 116883394

IUPAC2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid
SMILESCNC(C(=O)O)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C10H11N3O2S/c1-11-8(10(14)15)9-12-5-6(13-9)7-3-2-4-16-7/h2-5,8,11H,1H3,(H,12,13)(H,14,15)
InChIKeySCVXIZPYPHBAOM-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.48
Rot. Bonds4

About 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid

2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid (PubChem CID 116883394) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid
PubChem CID116883394
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid
SMILESCNC(C(=O)O)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C10H11N3O2S/c1-11-8(10(14)15)9-12-5-6(13-9)7-3-2-4-16-7/h2-5,8,11H,1H3,(H,12,13)(H,14,15)
InChIKeySCVXIZPYPHBAOM-UHFFFAOYSA-N
XLogP1.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid (CID 116883394) is 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid is CNC(C(=O)O)c1ncc(-c2cccs2)[nH]1.
What is the InChIKey of 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid?
The InChIKey is SCVXIZPYPHBAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-11-8(10(14)15)9-12-5-6(13-9)7-3-2-4-16-7/h2-5,8,11H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid?
2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid is sourced from PubChem (CID 116883394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).