(2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate

C10H18N2O4 — CID 138634649

IUPAC(2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H]1CNCCN1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)15-8(13)7-6-11-4-5-12-7/h7,11-12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyRZVOUHKFRLQJMX-ZETCQYMHSA-N
MW230.26 g/mol
LogP0.03
Rot. Bonds1

About (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate

(2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate (PubChem CID 138634649) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate
PubChem CID138634649
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H]1CNCCN1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)15-8(13)7-6-11-4-5-12-7/h7,11-12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyRZVOUHKFRLQJMX-ZETCQYMHSA-N
XLogP0.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate
CID 23164484
ethyl piperazine-2-carboxylate
CID 10633257
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
(2-methylpropan-2-yl)oxycarbonyl 4-ethynyl-4-hydroxypyrrolidine-2-carboxylate
CID 87481183
2-methylpentan-2-yloxycarbonyl (2S)-pyrrolidine-2-carboxylate
CID 175823101
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113791
piperazine-2-carboxylic acid
CID 2723758
pentyl piperazine-2-carboxylate
CID 173092252
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
methyl 1,4-diazepane-2-carboxylate
CID 45358161
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
piperazine-2-carboxylic acid;hydrochloride
CID 52987850

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate (CID 138634649) is (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate is CC(C)(C)OC(=O)OC(=O)[C@@H]1CNCCN1.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate?
The InChIKey is RZVOUHKFRLQJMX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)15-8(13)7-6-11-4-5-12-7/h7,11-12H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate?
(2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate is sourced from PubChem (CID 138634649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).