2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid

C10H20N2O2 — CID 104975814

IUPAC2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid
SMILESC[C@@H]1CN(CC(C)(C)C(=O)O)CCN1
InChIInChI=1S/C10H20N2O2/c1-8-6-12(5-4-11-8)7-10(2,3)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyRQAQQLBCJQDGLO-MRVPVSSYSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds3

About 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid

2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid (PubChem CID 104975814) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid
PubChem CID104975814
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid
SMILESC[C@@H]1CN(CC(C)(C)C(=O)O)CCN1
InChIInChI=1S/C10H20N2O2/c1-8-6-12(5-4-11-8)7-10(2,3)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyRQAQQLBCJQDGLO-MRVPVSSYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid (CID 104975814) is 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid is C[C@@H]1CN(CC(C)(C)C(=O)O)CCN1.
What is the InChIKey of 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid?
The InChIKey is RQAQQLBCJQDGLO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-6-12(5-4-11-8)7-10(2,3)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid?
2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid is sourced from PubChem (CID 104975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).