2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid

C11H22N4O5 — CID 83113976

IUPAC2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C11H22N4O5/c1-14(2)10(18)12-4-5-13-11(19)15(6-7-20-3)8-9(16)17/h4-8H2,1-3H3,(H,12,18)(H,13,19)(H,16,17)
InChIKeyBIIMARFHYULCEP-UHFFFAOYSA-N
MW290.32 g/mol
LogP-1.00
Rot. Bonds8

About 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid

2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 83113976) has the molecular formula C11H22N4O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID83113976
Molecular FormulaC11H22N4O5
Molecular Weight290.32 g/mol
Exact Mass290.16
IUPAC Name2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C11H22N4O5/c1-14(2)10(18)12-4-5-13-11(19)15(6-7-20-3)8-9(16)17/h4-8H2,1-3H3,(H,12,18)(H,13,19)(H,16,17)
InChIKeyBIIMARFHYULCEP-UHFFFAOYSA-N
XLogP-1.00
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 103995553
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258
2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid
CID 113364483
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 79271368
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79270901

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid (CID 83113976) is 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NCCNC(=O)N(C)C.
What is the InChIKey of 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is BIIMARFHYULCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O5/c1-14(2)10(18)12-4-5-13-11(19)15(6-7-20-3)8-9(16)17/h4-8H2,1-3H3,(H,12,18)(H,13,19)(H,16,17).
What are the key properties of 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of -1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 83113976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).