methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate

C10H19N3O3 — CID 154651315

IUPACmethyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CNCCN1C(=O)C(C)(C)N
InChIInChI=1S/C10H19N3O3/c1-10(2,11)9(15)13-5-4-12-6-7(13)8(14)16-3/h7,12H,4-6,11H2,1-3H3/t7-/m0/s1
InChIKeyPESHQGIGGRGZOU-ZETCQYMHSA-N
MW229.28 g/mol
LogP-1.30
Rot. Bonds2

About methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate

methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate (PubChem CID 154651315) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate
PubChem CID154651315
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Namemethyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CNCCN1C(=O)C(C)(C)N
InChIInChI=1S/C10H19N3O3/c1-10(2,11)9(15)13-5-4-12-6-7(13)8(14)16-3/h7,12H,4-6,11H2,1-3H3/t7-/m0/s1
InChIKeyPESHQGIGGRGZOU-ZETCQYMHSA-N
XLogP-1.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
1-O-tert-butyl 2-O-methyl (2S)-1,4-diazepane-1,2-dicarboxylate
CID 86325147
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454906
methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161675
tert-butyl 2-(methoxycarbamoyl)piperazine-1-carboxylate
CID 86654626
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828
2,2-dimethylpropane;methyl 2-chloro-6-(2-methoxycarbonylpiperazin-1-yl)pyrimidine-4-carboxylate
CID 144696025
2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
methyl 1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazine-2-carboxylate
CID 156850093
1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
CID 67976605
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate (CID 154651315) is methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate is COC(=O)[C@@H]1CNCCN1C(=O)C(C)(C)N.
What is the InChIKey of methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate?
The InChIKey is PESHQGIGGRGZOU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,11)9(15)13-5-4-12-6-7(13)8(14)16-3/h7,12H,4-6,11H2,1-3H3/t7-/m0/s1.
What are the key properties of methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate?
methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate is sourced from PubChem (CID 154651315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).