2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid

C10H19N3O5 — CID 79269666

IUPAC2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCNC(C)=O
InChIInChI=1S/C10H19N3O5/c1-8(14)11-3-4-12-10(17)13(5-6-18-2)7-9(15)16/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyMYXKEZZRUSGIHQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.13
Rot. Bonds8

About 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid

2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid (PubChem CID 79269666) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
PubChem CID79269666
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCNC(C)=O
InChIInChI=1S/C10H19N3O5/c1-8(14)11-3-4-12-10(17)13(5-6-18-2)7-9(15)16/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyMYXKEZZRUSGIHQ-UHFFFAOYSA-N
XLogP-1.13
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.13
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-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 103995553
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
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
2-[2-methoxyethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 79269696
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid (CID 79269666) is 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NCCNC(C)=O.
What is the InChIKey of 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is MYXKEZZRUSGIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-8(14)11-3-4-12-10(17)13(5-6-18-2)7-9(15)16/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid?
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of -1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79269666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).