N-Acetylprolinamide

C₇H₁₂N₂O₂CAS 16395-58-7156.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂N₂O₂
Molar mass: 156.19 g/mol
Exact mass: 156.0899 Da
logP: -0.52Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

16395-58-7

SMILES

CC(=O)N1CCC[C@H]1C(=O)N

InChIKey

CXURPNUIYCJENH-LURJTMIESA-N

InChI

InChI=1S/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m0/s1

Weigh it out

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Names and synonyms

1 names

N-Acetyl-L-prolinamide

Work with N-Acetylprolinamide

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

Ac-dl-pro-oh1074-79-960 % similar N-Acetyl-D-proline59785-68-160 % similar N-Acetyl-L-proline68-95-160 % similar (S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxamide214398-99-958 % similar D-1-N-Boc-prolinamide70138-72-655 % similar tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-550 % similar (S)-1-N-Boc-piperidine-2-carboxamide78058-41-050 % similar (S)-1-N-Cbz-prolinamide34079-31-749 % similar

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

Same formula

(R)-3-Isopropyl-2,5-piperazinedione143673-66-9 (S)-3-Isopropyl-2,5-piperazinedione16944-60-8

Elsewhere

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