2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid

C12H24N4O5 — CID 107425846

IUPAC2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCOCCNC(=O)NC(=O)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H24N4O5/c1-15(2)5-6-16(9-11(18)19)8-10(17)14-12(20)13-4-7-21-3/h4-9H2,1-3H3,(H,18,19)(H2,13,14,17,20)
InChIKeyCDXIJLAVVXYAIH-UHFFFAOYSA-N
MW304.35 g/mol
LogP-1.59
Rot. Bonds10

About 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 107425846) has the molecular formula C12H24N4O5 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
PubChem CID107425846
Molecular FormulaC12H24N4O5
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCOCCNC(=O)NC(=O)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H24N4O5/c1-15(2)5-6-16(9-11(18)19)8-10(17)14-12(20)13-4-7-21-3/h4-9H2,1-3H3,(H,18,19)(H2,13,14,17,20)
InChIKeyCDXIJLAVVXYAIH-UHFFFAOYSA-N
XLogP-1.59
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61007591
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 60686668
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
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-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61008829
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetic acid
CID 23524479
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327156
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 107425454
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-phosphorosooxyethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 163948609

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid (CID 107425846) is 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid is COCCNC(=O)NC(=O)CN(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is CDXIJLAVVXYAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O5/c1-15(2)5-6-16(9-11(18)19)8-10(17)14-12(20)13-4-7-21-3/h4-9H2,1-3H3,(H,18,19)(H2,13,14,17,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 304.35 g/mol, XLogP of -1.59, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107425846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).