ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate

C13H23N3O5 — CID 22017376

IUPACethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)CCC(=O)OC)CC1
InChIInChI=1S/C13H23N3O5/c1-3-21-13(19)16-8-6-15(7-9-16)12(18)10(14)4-5-11(17)20-2/h10H,3-9,14H2,1-2H3
InChIKeyWWZMQFLPHXKKEK-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.43
Rot. Bonds5

About ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate

ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate (PubChem CID 22017376) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate
PubChem CID22017376
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Nameethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)CCC(=O)OC)CC1
InChIInChI=1S/C13H23N3O5/c1-3-21-13(19)16-8-6-15(7-9-16)12(18)10(14)4-5-11(17)20-2/h10H,3-9,14H2,1-2H3
InChIKeyWWZMQFLPHXKKEK-UHFFFAOYSA-N
XLogP-0.43
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate (CID 22017376) is ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(N)CCC(=O)OC)CC1.
What is the InChIKey of ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate?
The InChIKey is WWZMQFLPHXKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-21-13(19)16-8-6-15(7-9-16)12(18)10(14)4-5-11(17)20-2/h10H,3-9,14H2,1-2H3.
What are the key properties of ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate?
ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate has a molecular weight of 301.34 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-5-methoxy-5-oxopentanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 22017376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).