ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate

C11H20N4O4 — CID 54916787

IUPACethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C11H20N4O4/c1-2-19-11(18)15-5-3-14(4-6-15)10(17)8(12)7-9(13)16/h8H,2-7,12H2,1H3,(H2,13,16)
InChIKeyBAZLQYRSIFQIFW-UHFFFAOYSA-N
MW272.31 g/mol
LogP-1.51
Rot. Bonds4

About ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate

ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate (PubChem CID 54916787) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
PubChem CID54916787
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Nameethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C11H20N4O4/c1-2-19-11(18)15-5-3-14(4-6-15)10(17)8(12)7-9(13)16/h8H,2-7,12H2,1H3,(H2,13,16)
InChIKeyBAZLQYRSIFQIFW-UHFFFAOYSA-N
XLogP-1.51
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119956526
ethyl 4-(2-amino-4-cyanobutanoyl)piperazine-1-carboxylate
CID 67443707
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
CID 107877194
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
ethyl 4-[(2S)-2-amino-4-diethoxyphosphorylbutanoyl]piperazine-1-carboxylate
CID 87456486
ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 62670367
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
butyl 4-[(2S)-2-aminobutanoyl]piperazine-1-carboxylate
CID 66713008
butyl 4-(2-aminobutanoyl)piperazine-1-carboxylate
CID 66713009

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate (CID 54916787) is ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(N)CC(N)=O)CC1.
What is the InChIKey of ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate?
The InChIKey is BAZLQYRSIFQIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-2-19-11(18)15-5-3-14(4-6-15)10(17)8(12)7-9(13)16/h8H,2-7,12H2,1H3,(H2,13,16).
What are the key properties of ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate?
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate has a molecular weight of 272.31 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 54916787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).