4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid

C9H19N3O2 — CID 22558432

IUPAC4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid
SMILESCC(C)(N)CN1CCN(C(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c1-9(2,10)7-11-3-5-12(6-4-11)8(13)14/h3-7,10H2,1-2H3,(H,13,14)
InChIKeyBQHDPIVCNOKELL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.02
Rot. Bonds2

About 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid

4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid (PubChem CID 22558432) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid
PubChem CID22558432
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid
SMILESCC(C)(N)CN1CCN(C(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c1-9(2,10)7-11-3-5-12(6-4-11)8(13)14/h3-7,10H2,1-2H3,(H,13,14)
InChIKeyBQHDPIVCNOKELL-UHFFFAOYSA-N
XLogP0.02
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid (CID 22558432) is 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid is CC(C)(N)CN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid?
The InChIKey is BQHDPIVCNOKELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,10)7-11-3-5-12(6-4-11)8(13)14/h3-7,10H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid?
4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22558432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).