2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid

C9H13N3O2 — CID 66140041

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1cncn1C1CC1
InChIInChI=1S/C9H13N3O2/c1-10-8(9(13)14)7-4-11-5-12(7)6-2-3-6/h4-6,8,10H,2-3H2,1H3,(H,13,14)
InChIKeyBJIPZEYTGNVLIA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.56
Rot. Bonds4

About 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid

2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid (PubChem CID 66140041) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
PubChem CID66140041
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1cncn1C1CC1
InChIInChI=1S/C9H13N3O2/c1-10-8(9(13)14)7-4-11-5-12(7)6-2-3-6/h4-6,8,10H,2-3H2,1H3,(H,13,14)
InChIKeyBJIPZEYTGNVLIA-UHFFFAOYSA-N
XLogP0.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid (CID 66140041) is 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1cncn1C1CC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid?
The InChIKey is BJIPZEYTGNVLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-10-8(9(13)14)7-4-11-5-12(7)6-2-3-6/h4-6,8,10H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid?
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid is sourced from PubChem (CID 66140041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).