ethyl 2-(carbamoylamino)acetate

• ChemBase ID: 42368
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: C(=O)(NCC(=O)OCC)N
• Canonical SMILES: CCOC(=O)CNC(=O)N
• InChI: InChI=1S/C5H10N2O3/c1-2-10-4(8)3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)
• InChIKey: YKPKXMAVLXBQDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(carbamoylamino)acetate
• IUPAC Traditional name: ethyl 2-(carbamoylamino)acetate
• Synonyms: Ethyl 2-[(aminocarbonyl)amino]acetate; ETHYL HYDANTOATE; Ethyl ureidoacetate

Database IDs

• CAS Number: 6293-20-5
• MDL Number: MFCD00025456
• PubChem SID: 162047131
• PubChem CID: 222535

CALCULATED PROPERTIES

• Acid pKa: 14.725682
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1594725
• LogD (pH = 7.4): -1.1594725
• Log P: -1.1594725
• Molar Refractivity: 33.6416 cm^3
• Polarizability: 13.193928 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148 °C; 146-148°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%

DETAILS

MP Biomedicals - 05210864

MP Biomedicals Rare Chemical collection