2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid

C8H13N3O7 — CID 83204397

IUPAC2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid
SMILESNC(=O)OCCNC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C8H13N3O7/c9-7(16)18-2-1-10-8(17)11-4(6(14)15)3-5(12)13/h4H,1-3H2,(H2,9,16)(H,12,13)(H,14,15)(H2,10,11,17)
InChIKeyKHVXJAYSQDTNQM-UHFFFAOYSA-N
MW263.21 g/mol
LogP-1.69
Rot. Bonds7

About 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid

2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid (PubChem CID 83204397) has the molecular formula C8H13N3O7 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid.

Molecular Properties

Compound Name2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid
PubChem CID83204397
Molecular FormulaC8H13N3O7
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid
SMILESNC(=O)OCCNC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C8H13N3O7/c9-7(16)18-2-1-10-8(17)11-4(6(14)15)3-5(12)13/h4H,1-3H2,(H2,9,16)(H,12,13)(H,14,15)(H2,10,11,17)
InChIKeyKHVXJAYSQDTNQM-UHFFFAOYSA-N
XLogP-1.69
TPSA168.05 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic 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

(2S)-2-(2-carbamoyloxyethylcarbamoylamino)butanoic acid
CID 83205276
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid
CID 83114385
(2S)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]butanedioic acid
CID 104877273
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
2-(2-carbamoyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 83203760
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
(2S)-4-amino-2-[2-(3-methylbutoxy)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718851
4-amino-4-oxo-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004390
(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
CID 106239604
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]butanedioic acid
CID 104865053
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid?
The IUPAC name of 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid (CID 83204397) is 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid.
What is the SMILES notation for 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid?
The canonical SMILES for 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid is NC(=O)OCCNC(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid?
The InChIKey is KHVXJAYSQDTNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O7/c9-7(16)18-2-1-10-8(17)11-4(6(14)15)3-5(12)13/h4H,1-3H2,(H2,9,16)(H,12,13)(H,14,15)(H2,10,11,17).
What are the key properties of 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid?
2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid has a molecular weight of 263.21 g/mol, XLogP of -1.69, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyloxyethylcarbamoylamino)butanedioic acid is sourced from PubChem (CID 83204397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).