CHEBI:747602 - isopropylcarbamic acid

ChEBI IDCHEBI:747602
ChEBI Nameisopropylcarbamic acid
Stars
DefinitionAn amino acid consisting of carbamic acid having an N-isopropyl substituent.
Last Modified24 April 2026
SubmitterMartin Larralde
DownloadsMolfile
FormulaC4H9NO2
Net Charge0
Average Mass103.121
Monoisotopic Mass103.06333
SMILESCC(C)NC(=O)O
InChIInChI=1S/C4H9NO2/c1-3(2)5-4(6)7/h3,5H,1-2H3,(H,6,7)
InChIKeyKNTZCGBYFGEMFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paenarthrobacter sp. YJN-5 (ncbitaxon:NCBITaxon:2735316) - PubMed (41721206)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
isopropylcarbamic acid (CHEBI:747602) has functional parent carbamic acid (CHEBI:28616)
isopropylcarbamic acid (CHEBI:747602) has role bacterial xenobiotic metabolite (CHEBI:76976)
isopropylcarbamic acid (CHEBI:747602) is a amino acid (CHEBI:33709)
IUPAC Name 
propan-2-ylcarbamic acid
Registry NumbersSources
CAS:504238PubChem Compound
Citations