methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate

C11H21N3O3 — CID 64677969

IUPACmethyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,12)8-9(15)13-4-6-14(7-5-13)10(16)17-3/h4-8,12H2,1-3H3
InChIKeyVKNQWTPGCNOHKU-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.02
Rot. Bonds2

About methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate

methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate (PubChem CID 64677969) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
PubChem CID64677969
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,12)8-9(15)13-4-6-14(7-5-13)10(16)17-3/h4-8,12H2,1-3H3
InChIKeyVKNQWTPGCNOHKU-UHFFFAOYSA-N
XLogP0.02
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
CID 110810861
methyl 4-(3-chloropropanoyl)piperazine-1-carboxylate
CID 61042593
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64679136
3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
CID 64678812
methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
CID 54916371
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
3-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methylbutan-1-one
CID 103810943
methyl 4-(2-nitroacetyl)piperazine-1-carboxylate
CID 108814585
2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 61328279

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate (CID 64677969) is methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)CC(C)(C)N)CC1.
What is the InChIKey of methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate?
The InChIKey is VKNQWTPGCNOHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,12)8-9(15)13-4-6-14(7-5-13)10(16)17-3/h4-8,12H2,1-3H3.
What are the key properties of methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate?
methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate has a molecular weight of 243.31 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-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 64677969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).