2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid

C10H18N2O2 — CID 65419887

IUPAC2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)C2CC2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)9(10(13)14)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyYKZISOJLSGOYLN-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.10
Rot. Bonds3

About 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid

2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid (PubChem CID 65419887) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
PubChem CID65419887
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)C2CC2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)9(10(13)14)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyYKZISOJLSGOYLN-UHFFFAOYSA-N
XLogP0.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid (CID 65419887) is 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid is CN1CCN(C(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid?
The InChIKey is YKZISOJLSGOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)9(10(13)14)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid?
2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid has a molecular weight of 198.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 65419887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).