chempirical

3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

C10H9NO4CAS 13610-59-8207.18 g/mol

Open in Covalent MOL file
NOOOHO
Carboxylic acid

Properties

Molecular formula
C10H9NO4
Molar mass
207.18 g/mol
Exact mass
207.0532 Da
logP
1.07Crippen estimate
Polar surface area
72.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
13610-59-8
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)O
InChIKey
BMLRDVCKJXMASM-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO4/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylbenzo[D]oxazol-2(3H)-one21892-80-850 % similar 1H-Benzotriazole-1-propanoic acid654-15-945 % similar 3-Acetyl-2(3H)-benzoxazolone24963-28-844 % similar N-(Carboxymethyl)acridone38609-97-141 % similar Benzenepentanoic acid2270-20-437 % similar 8-Phenyloctanoic acid26547-51-336 % similar Benzenepentadecanoic acid40228-93-136 % similar 1H-Indole-1-acetic acid24297-59-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-Tyrosine N-carboxyanhydride3415-08-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook