2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid

C11H21N3O5 — CID 61007591

IUPAC2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)NC(=O)NCCOC
InChIInChI=1S/C11H21N3O5/c1-3-5-14(8-10(16)17)7-9(15)13-11(18)12-4-6-19-2/h3-8H2,1-2H3,(H,16,17)(H2,12,13,15,18)
InChIKeyIYKRDETZCCVXQE-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.74
Rot. Bonds9

About 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid

2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid (PubChem CID 61007591) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
PubChem CID61007591
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)NC(=O)NCCOC
InChIInChI=1S/C11H21N3O5/c1-3-5-14(8-10(16)17)7-9(15)13-11(18)12-4-6-19-2/h3-8H2,1-2H3,(H,16,17)(H2,12,13,15,18)
InChIKeyIYKRDETZCCVXQE-UHFFFAOYSA-N
XLogP-0.74
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 107425846
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61008829
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 60686668
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetic acid
CID 23524479
N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304558
2-[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-(5-methoxy-2-oxopentyl)amino]ethyl]amino]acetic acid
CID 162305433
2-[azetidin-3-yl(methyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 66185736
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
3-(2-methoxyethylcarbamoyl)-1-methylsulfonyl-1-pentylurea
CID 2333370
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid (CID 61007591) is 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)NC(=O)NCCOC.
What is the InChIKey of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
The InChIKey is IYKRDETZCCVXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-5-14(8-10(16)17)7-9(15)13-11(18)12-4-6-19-2/h3-8H2,1-2H3,(H,16,17)(H2,12,13,15,18).
What are the key properties of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid has a molecular weight of 275.31 g/mol, XLogP of -0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid is sourced from PubChem (CID 61007591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).