2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid

C12H22N2O2 — CID 166175457

IUPAC2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(CC(=O)O)CCN1CC1CCC1
InChIInChI=1S/C12H22N2O2/c1-10-7-13(9-12(15)16)5-6-14(10)8-11-3-2-4-11/h10-11H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWVWRYCIGEXPFOP-SNVBAGLBSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds4

About 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid

2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid (PubChem CID 166175457) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
PubChem CID166175457
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(CC(=O)O)CCN1CC1CCC1
InChIInChI=1S/C12H22N2O2/c1-10-7-13(9-12(15)16)5-6-14(10)8-11-3-2-4-11/h10-11H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWVWRYCIGEXPFOP-SNVBAGLBSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid (CID 166175457) is 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid is C[C@@H]1CN(CC(=O)O)CCN1CC1CCC1.
What is the InChIKey of 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid?
The InChIKey is WVWRYCIGEXPFOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-7-13(9-12(15)16)5-6-14(10)8-11-3-2-4-11/h10-11H,2-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid?
2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 166175457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).