3-Morpholinecarboxylic acid

C5H9NO3CAS 77873-76-8131.13 g/mol

Open in Covalent MOL file
OHNOOH
Carboxylic acidEtherSecondary amine

Properties

Molecular formula
C5H9NO3
Molar mass
131.13 g/mol
Exact mass
131.0582 Da
logP
-0.94Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
77873-76-8
SMILES
C1COCC(N1)C(=O)O
InChIKey
JUNOWSHJELIDQP-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO3/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)

Weigh it out

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

Work with 3-Morpholinecarboxylic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-Morpholine-3-carboxylic acid106825-79-0Defined stereoisomer

Similar compounds

Oxazolidine-4-carboxylic acid hydrochloride162285-30-559 % similar Azetidine-2-carboxylic acid2133-34-855 % similar (±)-2-Azetidinecarboxylic acid2517-04-655 % similar D-Azetidine-2-carboxylic acid7729-30-855 % similar Proline147-85-352 % similar D-Proline344-25-252 % similar DL-Proline609-36-952 % similar (S)-Piperazine-2-carboxylic acid147650-70-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Aminolevulinic acid106-60-5 N-Acetylalanine1115-69-1 3-Aminotetrahydrofuran-3-carboxylic acid125218-55-5 N-Acetyl-D-alanine19436-52-3 cis-4-Hydroxy-D-proline2584-71-6 N-Acetyl-beta-alanine3025-95-4 Ethyl N-formylglycinate3154-51-6

Elsewhere

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