ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate

C10H20N4O3 — CID 107877194

IUPACethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(N)C(N)=O)CC1
InChIInChI=1S/C10H20N4O3/c1-2-17-10(16)14-5-3-13(4-6-14)7-8(11)9(12)15/h8H,2-7,11H2,1H3,(H2,12,15)
InChIKeyPWNGHNBXLFSFCF-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.43
Rot. Bonds4

About ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate

ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate (PubChem CID 107877194) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
PubChem CID107877194
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Nameethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(N)C(N)=O)CC1
InChIInChI=1S/C10H20N4O3/c1-2-17-10(16)14-5-3-13(4-6-14)7-8(11)9(12)15/h8H,2-7,11H2,1H3,(H2,12,15)
InChIKeyPWNGHNBXLFSFCF-UHFFFAOYSA-N
XLogP-1.43
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
tert-butyl 4-(2,3-diamino-3-oxopropyl)-1,4-diazepane-1-carboxylate
CID 114518384
ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
CID 114011847
ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate
CID 112516726
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-chloro-2-cyanoethyl)piperazine-1-carboxylate
CID 107876953
CID 58181055
CID 58181055

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate (CID 107877194) is ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(N)C(N)=O)CC1.
What is the InChIKey of ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate?
The InChIKey is PWNGHNBXLFSFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-2-17-10(16)14-5-3-13(4-6-14)7-8(11)9(12)15/h8H,2-7,11H2,1H3,(H2,12,15).
What are the key properties of ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate?
ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 107877194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).