N-Carbamoyl-L-Aspartate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.

N-carbamoyl-alpha amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP -1.1 ALOGPS
logS -0.92 ALOGPS
Water Solubility 2.13e+01 g/l ALOGPS
logP -1.7 ChemAxon
IUPAC Name (2S)-2-(carbamoylamino)butanedioic acid ChemAxon
Traditional IUPAC Name carbamylaspartic acid ChemAxon
Molecular Weight 176.1274 ChemAxon
Monoisotopic Weight 176.043321376 ChemAxon
SMILES NC(=O)N[C@@H](CC(O)=O)C(O)=O ChemAxon
Molecular Formula C5H8N2O5 ChemAxon
InChI InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1 ChemAxon
InChIKey InChIKey=HLKXYZVTANABHZ-REOHCLBHSA-N ChemAxon
Polar Surface Area (PSA) 129.72 ChemAxon
Refractivity 34.65 ChemAxon
Polarizability 14.72 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 3.33 ChemAxon
pKa (strongest basic) -2.6 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Dihydroorotase : in Escherichia coli (strain K12)