2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

C12H24N2O6 — CID 79272631

IUPAC2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CCOC)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C12H24N2O6/c1-18-7-4-13(5-8-19-2)12(17)14(6-9-20-3)10-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyOYCTUAPXDKNKLZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.27
Rot. Bonds11

About 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79272631) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79272631
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CCOC)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C12H24N2O6/c1-18-7-4-13(5-8-19-2)12(17)14(6-9-20-3)10-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyOYCTUAPXDKNKLZ-UHFFFAOYSA-N
XLogP-0.27
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79386395
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283178
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
CID 79272097
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
2-[[1-cyanopropan-2-yl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270142
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79272631) is 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CCOC)C(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is OYCTUAPXDKNKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-18-7-4-13(5-8-19-2)12(17)14(6-9-20-3)10-11(15)16/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of -0.27, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79272631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).