methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate

C12H21N3O3 — CID 54916371

IUPACmethyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C12H21N3O3/c1-12(13,9-3-4-9)10(16)14-5-7-15(8-6-14)11(17)18-2/h9H,3-8,13H2,1-2H3
InChIKeyVWNVTNWBTNBTFM-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.02
Rot. Bonds2

About methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate

methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate (PubChem CID 54916371) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
PubChem CID54916371
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Namemethyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C12H21N3O3/c1-12(13,9-3-4-9)10(16)14-5-7-15(8-6-14)11(17)18-2/h9H,3-8,13H2,1-2H3
InChIKeyVWNVTNWBTNBTFM-UHFFFAOYSA-N
XLogP0.02
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 60946615
2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 81103870
4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964288
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596
methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate
CID 143083898
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
CID 63877468
(2R)-2-amino-2-cyclopropyl-1-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]propan-1-one
CID 125147380
2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60867515
methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
CID 64677969

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate (CID 54916371) is methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1.
What is the InChIKey of methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate?
The InChIKey is VWNVTNWBTNBTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(13,9-3-4-9)10(16)14-5-7-15(8-6-14)11(17)18-2/h9H,3-8,13H2,1-2H3.
What are the key properties of methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate?
methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 54916371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).