2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid

C10H15N3O6 — CID 79464152

IUPAC2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid
SMILESCN1C(=O)CC(NC(=O)NCCOCC(=O)O)C1=O
InChIInChI=1S/C10H15N3O6/c1-13-7(14)4-6(9(13)17)12-10(18)11-2-3-19-5-8(15)16/h6H,2-5H2,1H3,(H,15,16)(H2,11,12,18)
InChIKeySIXFKZWSSKVRPN-UHFFFAOYSA-N
MW273.25 g/mol
LogP-1.86
Rot. Bonds6

About 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid

2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79464152) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid
PubChem CID79464152
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid
SMILESCN1C(=O)CC(NC(=O)NCCOCC(=O)O)C1=O
InChIInChI=1S/C10H15N3O6/c1-13-7(14)4-6(9(13)17)12-10(18)11-2-3-19-5-8(15)16/h6H,2-5H2,1H3,(H,15,16)(H2,11,12,18)
InChIKeySIXFKZWSSKVRPN-UHFFFAOYSA-N
XLogP-1.86
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-Dioxoimidazolidin-4-yl)acetamide;methyl 2,2-bis(carbamoylamino)acetate;methyl 2-hydroxy-2-methoxyacetate
CID 161983288
2-[2-[(1-Methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 54949838
3-[2-[Carboxymethyl-[2-[[1-(ethylamino)-4-(methylamino)-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]ethyl]-5-oxo-1,3-oxazolidine-2-carboxylic acid
CID 59080855
2-[2-Oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid
CID 61328619
2-[2-[(1-Ethylpyrrolidin-2-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
CID 61328877
2-[2-Oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 61477554
2-[2-[(1-Cyclopropylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61815902
2-[2-[[3-(Dimethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 63536517
2-[2-[[3-(Diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 63536842
2-[2-[(2-Ethyl-3-oxopiperazine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 63605611
2-[2-Oxo-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]ethoxy]acetic acid
CID 64433619
2-[2-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)amino]-2-oxoethoxy]acetic acid
CID 65686004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid (CID 79464152) is 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid is CN1C(=O)CC(NC(=O)NCCOCC(=O)O)C1=O.
What is the InChIKey of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is SIXFKZWSSKVRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-13-7(14)4-6(9(13)17)12-10(18)11-2-3-19-5-8(15)16/h6H,2-5H2,1H3,(H,15,16)(H2,11,12,18).
What are the key properties of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 273.25 g/mol, XLogP of -1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79464152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).