2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid

C8H14N4O6 — CID 83204241

IUPAC2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
SMILESNC(=O)OCCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H14N4O6/c9-7(16)18-2-1-10-8(17)12-3-5(13)11-4-6(14)15/h1-4H2,(H2,9,16)(H,11,13)(H,14,15)(H2,10,12,17)
InChIKeyWORJFLZEWVTMKF-UHFFFAOYSA-N
MW262.22 g/mol
LogP-2.42
Rot. Bonds7

About 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 83204241) has the molecular formula C8H14N4O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID83204241
Molecular FormulaC8H14N4O6
Molecular Weight262.22 g/mol
Exact Mass262.09
IUPAC Name2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
SMILESNC(=O)OCCNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H14N4O6/c9-7(16)18-2-1-10-8(17)12-3-5(13)11-4-6(14)15/h1-4H2,(H2,9,16)(H,11,13)(H,14,15)(H2,10,12,17)
InChIKeyWORJFLZEWVTMKF-UHFFFAOYSA-N
XLogP-2.42
TPSA159.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-2.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]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-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
CID 114162453
2-[[2-(2-but-3-enoxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 106404893
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 61492672
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
2-(2-propoxyethylcarbamoylamino)acetic acid
CID 106450957
2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62635691
2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
CID 83211277
2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid
CID 83204397
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
CID 144959900
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
2-[[2-(prop-2-ynylcarbamoylamino)acetyl]amino]acetic acid
CID 61192699

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid (CID 83204241) is 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid is NC(=O)OCCNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is WORJFLZEWVTMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O6/c9-7(16)18-2-1-10-8(17)12-3-5(13)11-4-6(14)15/h1-4H2,(H2,9,16)(H,11,13)(H,14,15)(H2,10,12,17).
What are the key properties of 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 262.22 g/mol, XLogP of -2.42, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 83204241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).