H-alpha-Me-D-pro-oh
Properties
- Molecular formula
- C6H11NO2
- Molar mass
- 129.16 g/mol
- Exact mass
- 129.0790 Da
- logP
- 0.21Crippen estimate
- Polar surface area
- 49.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
63399-77-9SMILES
C[C@@]1(CCCN1)C(=O)OInChIKey
LWHHAVWYGIBIEU-ZCFIWIBFSA-NInChI
InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m1/s1Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 11.50 (br s, 1H), 2.87 (t, J = 7.0 Hz, 2H), 1.98 (t, J = 7.0 Hz, 2H), 1.68 (quint, J = 7.0 Hz, 2H), 1.40 (s, 3H), 1.20 (br s, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 178.0, 69.1, 45.1, 35.8, 23.8, 21.7.[M + H]+
[M + H]+ Calcd for C6H12NO2 130.0863[M + Na]+
[M + Na]+ Calcd for C6H11NNaO2 152.0682[M − H]−
[M − H]− Calcd for C6H10NO2 128.0717Elemental analysis
Anal. Calcd for C6H11NO2: C, 55.80; H, 8.58; N, 10.84.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- (2R)-2-Methylpyrrolidine-2-carboxylic acid
Work with H-alpha-Me-D-pro-oh
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.
Similar compounds
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1-Methylcyclopropanecarboxylic acid6914-76-743 % similar
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Tanimoto similarity of circular fingerprints over the whole catalogue.