2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid

C9H16N4O5 — CID 107440755

IUPAC2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCCNC(=O)NC(=O)CN(CC(N)=O)CC(=O)O
InChIInChI=1S/C9H16N4O5/c1-2-11-9(18)12-7(15)4-13(3-6(10)14)5-8(16)17/h2-5H2,1H3,(H2,10,14)(H,16,17)(H2,11,12,15,18)
InChIKeyOGMUQNBWNDENMK-UHFFFAOYSA-N
MW260.25 g/mol
LogP-2.30
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 107440755) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
PubChem CID107440755
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCCNC(=O)NC(=O)CN(CC(N)=O)CC(=O)O
InChIInChI=1S/C9H16N4O5/c1-2-11-9(18)12-7(15)4-13(3-6(10)14)5-8(16)17/h2-5H2,1H3,(H2,10,14)(H,16,17)(H2,11,12,15,18)
InChIKeyOGMUQNBWNDENMK-UHFFFAOYSA-N
XLogP-2.30
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61008829
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 107440295
2-[(2-amino-2-oxoethyl)-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetic acid
CID 107440194
2-[(2-amino-2-oxoethyl)-[2-(2-cyanoethylamino)-2-oxoethyl]amino]acetic acid
CID 107440643
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61007591
ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977780
2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 16577824
2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
CID 65242994
2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
CID 153337415

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid (CID 107440755) is 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid is CCNC(=O)NC(=O)CN(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is OGMUQNBWNDENMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5/c1-2-11-9(18)12-7(15)4-13(3-6(10)14)5-8(16)17/h2-5H2,1H3,(H2,10,14)(H,16,17)(H2,11,12,15,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -2.30, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107440755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).