2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid

C9H16N2O4 — CID 155064657

IUPAC2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
SMILESCC(C)(OC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2,7(12)13)15-8(14)11-5-3-10-4-6-11/h10H,3-6H2,1-2H3,(H,12,13)
InChIKeyXRBGYCODZRBXGL-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.11
Rot. Bonds2

About 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid

2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid (PubChem CID 155064657) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
PubChem CID155064657
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
SMILESCC(C)(OC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2,7(12)13)15-8(14)11-5-3-10-4-6-11/h10H,3-6H2,1-2H3,(H,12,13)
InChIKeyXRBGYCODZRBXGL-UHFFFAOYSA-N
XLogP-0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151
tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine
CID 159944699
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2-[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142939665
4-O,7-O-ditert-butyl 1-O-propan-2-yl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 58918460
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid?
The IUPAC name of 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid (CID 155064657) is 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid is CC(C)(OC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid?
The InChIKey is XRBGYCODZRBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2,7(12)13)15-8(14)11-5-3-10-4-6-11/h10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid?
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid is sourced from PubChem (CID 155064657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).