ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate

C10H19N3O4 — CID 108895300

IUPACethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
SMILESCCOC(=O)N(CCN)C(=O)NCCC(C)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-10(16)13(7-5-11)9(15)12-6-4-8(2)14/h3-7,11H2,1-2H3,(H,12,15)
InChIKeyYJYWXAXKHCDETE-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.09
Rot. Bonds6

About ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate

ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate (PubChem CID 108895300) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
PubChem CID108895300
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nameethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
SMILESCCOC(=O)N(CCN)C(=O)NCCC(C)=O
InChIInChI=1S/C10H19N3O4/c1-3-17-10(16)13(7-5-11)9(15)12-6-4-8(2)14/h3-7,11H2,1-2H3,(H,12,15)
InChIKeyYJYWXAXKHCDETE-UHFFFAOYSA-N
XLogP0.09
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate (CID 108895300) is ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate is CCOC(=O)N(CCN)C(=O)NCCC(C)=O.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate?
The InChIKey is YJYWXAXKHCDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-17-10(16)13(7-5-11)9(15)12-6-4-8(2)14/h3-7,11H2,1-2H3,(H,12,15).
What are the key properties of ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate?
ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate has a molecular weight of 245.28 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate is sourced from PubChem (CID 108895300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).