ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate

C11H21N3O3 — CID 62670367

IUPACethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C11H21N3O3/c1-3-17-11(16)14-6-4-13(5-7-14)10(15)9(2)8-12/h9H,3-8,12H2,1-2H3
InChIKeyWSWLBQMJBLHUSY-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.12
Rot. Bonds3

About ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate

ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate (PubChem CID 62670367) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
PubChem CID62670367
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C11H21N3O3/c1-3-17-11(16)14-6-4-13(5-7-14)10(15)9(2)8-12/h9H,3-8,12H2,1-2H3
InChIKeyWSWLBQMJBLHUSY-UHFFFAOYSA-N
XLogP-0.12
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
ethyl 4-[2-(aminomethyl)-3-methylbutyl]piperazine-1-carboxylate
CID 107877808
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787
ethyl 4-(2-butylsulfanylpropanoyl)piperazine-1-carboxylate
CID 134037908
ethyl 4-(2-cyanopentanoyl)piperazine-1-carboxylate
CID 107876931
ethyl azetidine-1-carboxylate
CID 14088501
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
ethyl 4-[3-(3,4-dihydroxyphenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 84578541
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate (CID 62670367) is ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(C)CN)CC1.
What is the InChIKey of ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate?
The InChIKey is WSWLBQMJBLHUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-17-11(16)14-6-4-13(5-7-14)10(15)9(2)8-12/h9H,3-8,12H2,1-2H3.
What are the key properties of ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate?
ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 62670367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).