2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid

C13H22N4O2 — CID 84742959

IUPAC2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCC(C)N1CCN(C(C(=O)O)c2cn(C)cn2)CC1
InChIInChI=1S/C13H22N4O2/c1-10(2)16-4-6-17(7-5-16)12(13(18)19)11-8-15(3)9-14-11/h8-10,12H,4-7H2,1-3H3,(H,18,19)
InChIKeyBZMQSDPYGIPXKM-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.57
Rot. Bonds4

About 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid

2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid (PubChem CID 84742959) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
PubChem CID84742959
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
SMILESCC(C)N1CCN(C(C(=O)O)c2cn(C)cn2)CC1
InChIInChI=1S/C13H22N4O2/c1-10(2)16-4-6-17(7-5-16)12(13(18)19)11-8-15(3)9-14-11/h8-10,12H,4-7H2,1-3H3,(H,18,19)
InChIKeyBZMQSDPYGIPXKM-UHFFFAOYSA-N
XLogP0.57
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid (CID 84742959) is 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid is CC(C)N1CCN(C(C(=O)O)c2cn(C)cn2)CC1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is BZMQSDPYGIPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)16-4-6-17(7-5-16)12(13(18)19)11-8-15(3)9-14-11/h8-10,12H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid?
2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 266.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84742959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).